text
stringlengths 1
2.03k
| formula
stringlengths 1
25
⌀ | NumHDonors
int64 0
131
⌀ | NumHAcceptors
int64 0
276
⌀ | MolLogP
float64 -98.2
181
⌀ | NumHeteroatoms
int64 0
384
⌀ | RingCount
int64 0
85
⌀ | NumRotatableBonds
int64 0
294
⌀ | NumAromaticBonds
int64 0
432
⌀ | NumAcidGroups
int64 0
48
⌀ | NumBasicGroups
int64 0
56
⌀ | Apol
float64 0.2
1.48k
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|
c1c(cnc(c1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)Cl)F | C19H19ClFN5O3S | 3 | 6 | 2.0826 | 11 | 4 | 4 | 11 | 0 | 0 | 59.652067 |
c1c(cnc(c1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)Cl)F | C19H19ClFN5O3S | 3 | 6 | 2.0826 | 11 | 4 | 4 | 11 | 0 | 0 | 59.652067 |
CCSc1cccnc1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H25N5O3S2 | 3 | 7 | 2.4021 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
CCSc1cccnc1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H25N5O3S2 | 3 | 7 | 2.4021 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
CCSc1cccnc1C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H25N5O3S2 | 3 | 7 | 2.4021 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
CCSc1cccnc1C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H25N5O3S2 | 3 | 7 | 2.4021 | 10 | 4 | 6 | 11 | 0 | 0 | 67.335825 |
c1ccc2c(c1)[C@@H]3[C@@H]([C@@H]3S2)C(=O)N[C@@H]4CCc5c(sc(n5)NC(=O)[C@@H]6CCNC(=O)C6)C4 | C23H24N4O3S2 | 3 | 6 | 2.4692 | 9 | 6 | 4 | 11 | 0 | 0 | 69.089032 |
c1ccc2c(c1)[C@H]3[C@@H]([C@H]3S2)C(=O)N[C@@H]4CCc5c(sc(n5)NC(=O)[C@@H]6CCNC(=O)C6)C4 | C23H24N4O3S2 | 3 | 6 | 2.4692 | 9 | 6 | 4 | 11 | 0 | 0 | 69.089032 |
c1ccc2c(c1)[C@@H]3[C@@H]([C@H]3S2)C(=O)N[C@@H]4CCc5c(sc(n5)NC(=O)[C@@H]6CCNC(=O)C6)C4 | C23H24N4O3S2 | 3 | 6 | 2.4692 | 9 | 6 | 4 | 11 | 0 | 0 | 69.089032 |
c1ccc2c(c1)[C@H]3[C@@H]([C@@H]3S2)C(=O)N[C@@H]4CCc5c(sc(n5)NC(=O)[C@@H]6CCNC(=O)C6)C4 | C23H24N4O3S2 | 3 | 6 | 2.4692 | 9 | 6 | 4 | 11 | 0 | 0 | 69.089032 |
c1cc(cc(c1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)c5cnccn5 | C24H24N6O3S | 3 | 7 | 2.3521 | 10 | 5 | 5 | 17 | 0 | 0 | 70.149032 |
c1cc(cc(c1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)c5cnccn5 | C24H24N6O3S | 3 | 7 | 2.3521 | 10 | 5 | 5 | 17 | 0 | 0 | 70.149032 |
c1cc(cc(c1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)c5cnccn5 | C24H24N6O3S | 3 | 7 | 2.3521 | 10 | 5 | 5 | 17 | 0 | 0 | 70.149032 |
c1cc(cc(c1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)c5cnccn5 | C24H24N6O3S | 3 | 7 | 2.3521 | 10 | 5 | 5 | 17 | 0 | 0 | 70.149032 |
c1cc2c([nH]nc2c(c1)Cl)CC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc2c([nH]nc2c(c1)Cl)CC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc2c([nH]nc2c(c1)Cl)CC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc2c([nH]nc2c(c1)Cl)CC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc(c(cc1Br)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)O | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
c1cc(c(cc1Br)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)O | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
c1cc(c(cc1Br)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)O | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
c1cc(c(cc1Br)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)O | C20H21BrN4O4S | 4 | 6 | 2.3632 | 10 | 4 | 4 | 11 | 0 | 0 | 62.760653 |
COC(=O)Nc1cccc(c1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C22H25N5O5S | 4 | 7 | 2.0734 | 11 | 4 | 5 | 11 | 0 | 0 | 67.799825 |
COC(=O)Nc1cccc(c1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C22H25N5O5S | 4 | 7 | 2.0734 | 11 | 4 | 5 | 11 | 0 | 0 | 67.799825 |
COC(=O)Nc1cccc(c1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C22H25N5O5S | 4 | 7 | 2.0734 | 11 | 4 | 5 | 11 | 0 | 0 | 67.799825 |
COC(=O)Nc1cccc(c1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C22H25N5O5S | 4 | 7 | 2.0734 | 11 | 4 | 5 | 11 | 0 | 0 | 67.799825 |
COc1cc(cc(n1)C(F)(F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H22F3N5O4S | 3 | 7 | 2.3175 | 13 | 4 | 5 | 11 | 0 | 0 | 64.908446 |
COc1cc(cc(n1)C(F)(F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H22F3N5O4S | 3 | 7 | 2.3175 | 13 | 4 | 5 | 11 | 0 | 0 | 64.908446 |
COc1cc(cc(n1)C(F)(F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H22F3N5O4S | 3 | 7 | 2.3175 | 13 | 4 | 5 | 11 | 0 | 0 | 64.908446 |
COc1cc(cc(n1)C(F)(F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H22F3N5O4S | 3 | 7 | 2.3175 | 13 | 4 | 5 | 11 | 0 | 0 | 64.908446 |
c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H25N5O3S | 4 | 5 | 2.3053 | 9 | 5 | 5 | 15 | 0 | 0 | 67.955825 |
c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H25N5O3S | 4 | 5 | 2.3053 | 9 | 5 | 5 | 15 | 0 | 0 | 67.955825 |
c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H25N5O3S | 4 | 5 | 2.3053 | 9 | 5 | 5 | 15 | 0 | 0 | 67.955825 |
c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H25N5O3S | 4 | 5 | 2.3053 | 9 | 5 | 5 | 15 | 0 | 0 | 67.955825 |
c1ccc2c(c1)C=C(CC(=O)N2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H25N5O4S | 4 | 6 | 2.0071 | 10 | 5 | 4 | 11 | 0 | 0 | 70.517825 |
c1ccc2c(c1)C=C(CC(=O)N2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H25N5O4S | 4 | 6 | 2.0071 | 10 | 5 | 4 | 11 | 0 | 0 | 70.517825 |
c1ccc2c(c1)C=C(CC(=O)N2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H25N5O4S | 4 | 6 | 2.0071 | 10 | 5 | 4 | 11 | 0 | 0 | 70.517825 |
c1ccc2c(c1)C=C(CC(=O)N2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H25N5O4S | 4 | 6 | 2.0071 | 10 | 5 | 4 | 11 | 0 | 0 | 70.517825 |
c1ccc(cc1)Cn2cc(cn2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H26N6O3S | 3 | 7 | 2.1399 | 10 | 5 | 6 | 16 | 0 | 0 | 71.482618 |
c1ccc(cc1)Cn2cc(cn2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H26N6O3S | 3 | 7 | 2.1399 | 10 | 5 | 6 | 16 | 0 | 0 | 71.482618 |
c1ccc(cc1)Cn2cc(cn2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H26N6O3S | 3 | 7 | 2.1399 | 10 | 5 | 6 | 16 | 0 | 0 | 71.482618 |
c1ccc(cc1)Cn2cc(cn2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H26N6O3S | 3 | 7 | 2.1399 | 10 | 5 | 6 | 16 | 0 | 0 | 71.482618 |
c1c(cncc1C(F)(F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1c(cncc1C(F)(F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1c(cncc1C(F)(F)F)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1c(cncc1C(F)(F)F)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
CCn1c(cc(n1)C(C)C)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C22H30N6O3S | 3 | 7 | 2.2349 | 10 | 4 | 6 | 10 | 0 | 0 | 70.62979 |
CCn1c(cc(n1)C(C)C)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C22H30N6O3S | 3 | 7 | 2.2349 | 10 | 4 | 6 | 10 | 0 | 0 | 70.62979 |
CCn1c(cc(n1)C(C)C)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C22H30N6O3S | 3 | 7 | 2.2349 | 10 | 4 | 6 | 10 | 0 | 0 | 70.62979 |
CCn1c(cc(n1)C(C)C)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C22H30N6O3S | 3 | 7 | 2.2349 | 10 | 4 | 6 | 10 | 0 | 0 | 70.62979 |
c1ccc(cc1)c2nc(no2)CCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H26N6O4S | 3 | 8 | 2.2641 | 11 | 5 | 7 | 16 | 0 | 0 | 72.284618 |
c1ccc(cc1)c2nc(no2)CCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H26N6O4S | 3 | 8 | 2.2641 | 11 | 5 | 7 | 16 | 0 | 0 | 72.284618 |
c1ccc(cc1)c2nc(no2)CCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H26N6O4S | 3 | 8 | 2.2641 | 11 | 5 | 7 | 16 | 0 | 0 | 72.284618 |
c1ccc(cc1)c2nc(no2)CCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H26N6O4S | 3 | 8 | 2.2641 | 11 | 5 | 7 | 16 | 0 | 0 | 72.284618 |
c1cc2c(cc1Cl)[nH]nc2CC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc2c(cc1Cl)[nH]nc2CC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc2c(cc1Cl)[nH]nc2CC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
c1cc2c(cc1Cl)[nH]nc2CC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C22H23ClN6O3S | 4 | 6 | 2.3537 | 11 | 5 | 5 | 15 | 0 | 0 | 68.142239 |
Cn1c(cc2c1c3cc[nH]c3nc2)C(=O)N[C@@H]4CCc5c(sc(n5)NC(=O)[C@H]6CCNC(=O)C6)C4 | C24H25N7O3S | 4 | 7 | 2.2631 | 11 | 6 | 4 | 19 | 0 | 0 | 71.915825 |
Cn1c(cc2c1c3cc[nH]c3nc2)C(=O)N[C@H]4CCc5c(sc(n5)NC(=O)[C@H]6CCNC(=O)C6)C4 | C24H25N7O3S | 4 | 7 | 2.2631 | 11 | 6 | 4 | 19 | 0 | 0 | 71.915825 |
Cn1c(cc2c1c3cc[nH]c3nc2)C(=O)N[C@H]4CCc5c(sc(n5)NC(=O)[C@@H]6CCNC(=O)C6)C4 | C24H25N7O3S | 4 | 7 | 2.2631 | 11 | 6 | 4 | 19 | 0 | 0 | 71.915825 |
Cn1c(cc2c1c3cc[nH]c3nc2)C(=O)N[C@@H]4CCc5c(sc(n5)NC(=O)[C@@H]6CCNC(=O)C6)C4 | C24H25N7O3S | 4 | 7 | 2.2631 | 11 | 6 | 4 | 19 | 0 | 0 | 71.915825 |
c1ccc2c(c1)[nH]c(=O)n2CCCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H28N6O4S | 4 | 7 | 1.7047 | 11 | 5 | 7 | 15 | 0 | 0 | 73.618204 |
c1ccc2c(c1)[nH]c(=O)n2CCCC(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H28N6O4S | 4 | 7 | 1.7047 | 11 | 5 | 7 | 15 | 0 | 0 | 73.618204 |
c1ccc2c(c1)[nH]c(=O)n2CCCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C24H28N6O4S | 4 | 7 | 1.7047 | 11 | 5 | 7 | 15 | 0 | 0 | 73.618204 |
c1ccc2c(c1)[nH]c(=O)n2CCCC(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C24H28N6O4S | 4 | 7 | 1.7047 | 11 | 5 | 7 | 15 | 0 | 0 | 73.618204 |
COc1ccc2c(c1)c(c[nH]2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
COc1ccc2c(c1)c(c[nH]2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
COc1ccc2c(c1)c(c[nH]2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
COc1ccc2c(c1)c(c[nH]2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H25N5O4S | 4 | 6 | 2.385 | 10 | 5 | 5 | 15 | 0 | 0 | 68.757825 |
C[Si](C)(C)c1cc(co1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H28N4O4SSi | 3 | 6 | 2.0333 | 10 | 4 | 5 | 10 | 0 | 0 | 71.518204 |
C[Si](C)(C)c1cc(co1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2 | C21H28N4O4SSi | 3 | 6 | 2.0333 | 10 | 4 | 5 | 10 | 0 | 0 | 71.518204 |
C[Si](C)(C)c1cc(co1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H28N4O4SSi | 3 | 6 | 2.0333 | 10 | 4 | 5 | 10 | 0 | 0 | 71.518204 |
C[Si](C)(C)c1cc(co1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2 | C21H28N4O4SSi | 3 | 6 | 2.0333 | 10 | 4 | 5 | 10 | 0 | 0 | 71.518204 |
Cc1cc2c(cc1C)nc([nH]2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.38824 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
Cc1cc2c(cc1C)nc([nH]2)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.38824 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
Cc1cc2c(cc1C)nc([nH]2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.38824 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
Cc1cc2c(cc1C)nc([nH]2)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H26N6O3S | 4 | 6 | 2.38824 | 10 | 5 | 4 | 15 | 0 | 0 | 69.722618 |
CC(C)(C)OC(=O)NC[C@H](CC(=O)N1CCC(CC1)[C@@H]2CCCCN2C(=O)c3ccc(=O)oc3)O | C25H37N3O7 | 2 | 7 | 2.1488 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
CC(C)(C)OC(=O)NC[C@@H](CC(=O)N1CCC(CC1)[C@@H]2CCCCN2C(=O)c3ccc(=O)oc3)O | C25H37N3O7 | 2 | 7 | 2.1488 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
CC(C)(C)OC(=O)NC[C@H](CC(=O)N1CCC(CC1)[C@H]2CCCCN2C(=O)c3ccc(=O)oc3)O | C25H37N3O7 | 2 | 7 | 2.1488 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
CC(C)(C)OC(=O)NC[C@@H](CC(=O)N1CCC(CC1)[C@H]2CCCCN2C(=O)c3ccc(=O)oc3)O | C25H37N3O7 | 2 | 7 | 2.1488 | 10 | 3 | 6 | 6 | 0 | 0 | 77.585341 |
c1cc(=O)occ1C(=O)N2CCCC[C@H]2C3CCN(CC3)C(=O)c4c(n[nH]n4)C(F)(F)F | C20H22F3N5O4 | 1 | 6 | 2.3238 | 12 | 4 | 3 | 11 | 0 | 0 | 60.248446 |
c1cc(=O)occ1C(=O)N2CCCC[C@@H]2C3CCN(CC3)C(=O)c4c(n[nH]n4)C(F)(F)F | C20H22F3N5O4 | 1 | 6 | 2.3238 | 12 | 4 | 3 | 11 | 0 | 0 | 60.248446 |
Cc1c(cc2cnccc2n1)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 3 | 7 | 2.14672 | 10 | 5 | 4 | 16 | 0 | 0 | 68.389032 |
Cc1c(cc2cnccc2n1)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 3 | 7 | 2.14672 | 10 | 5 | 4 | 16 | 0 | 0 | 68.389032 |
Cc1c(cc2cnccc2n1)C(=O)N[C@@H]3CCc4c(sc(n4)NC(=O)[C@@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 3 | 7 | 2.14672 | 10 | 5 | 4 | 16 | 0 | 0 | 68.389032 |
c1cc(=O)occ1C(=O)N2CCCC[C@H]2C3CCN(CC3)C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4 | C25H33N3O5 | 0 | 5 | 2.2741 | 8 | 5 | 3 | 6 | 0 | 0 | 73.314169 |
Cc1c(cc2cnccc2n1)C(=O)N[C@H]3CCc4c(sc(n4)NC(=O)[C@H]5CCNC(=O)C5)C3 | C23H24N6O3S | 3 | 7 | 2.14672 | 10 | 5 | 4 | 16 | 0 | 0 | 68.389032 |
c1cc(=O)occ1C(=O)N2CCCC[C@@H]2C3CCN(CC3)C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4 | C25H33N3O5 | 0 | 5 | 2.2741 | 8 | 5 | 3 | 6 | 0 | 0 | 73.314169 |
c1cc(=O)occ1C(=O)N2CCCC[C@@H]2C3CCN(CC3)C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4 | C25H33N3O5 | 0 | 5 | 2.2741 | 8 | 5 | 3 | 6 | 0 | 0 | 73.314169 |
c1cc(=O)occ1C(=O)N2CCCC[C@H]2C3CCN(CC3)C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4 | C25H33N3O5 | 0 | 5 | 2.2741 | 8 | 5 | 3 | 6 | 0 | 0 | 73.314169 |
c1cc(c(nc1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)C(F)(F)F | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1cc(c(nc1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@@H]4CCNC(=O)C4)C2)C(F)(F)F | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1cc(c(nc1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)C(F)(F)F | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1cc(c(nc1)C(=O)N[C@@H]2CCc3c(sc(n3)NC(=O)[C@H]4CCNC(=O)C4)C2)C(F)(F)F | C20H20F3N5O3S | 3 | 6 | 2.3089 | 12 | 4 | 4 | 11 | 0 | 0 | 61.01286 |
c1cc(ccc1C(=O)N2CCC(CC2)[C@@H]3CCCCN3C(=O)c4ccc(=O)oc4)n5c(=O)[nH][nH]c5=O | C25H27N5O6 | 2 | 7 | 1.3542 | 11 | 5 | 4 | 17 | 0 | 0 | 72.315411 |
c1cc(ccc1C(=O)N2CCC(CC2)[C@H]3CCCCN3C(=O)c4ccc(=O)oc4)n5c(=O)[nH][nH]c5=O | C25H27N5O6 | 2 | 7 | 1.3542 | 11 | 5 | 4 | 17 | 0 | 0 | 72.315411 |
c1ccc(c(c1)C(=O)N2CCC(CC2)[C@H]3CCCCN3C(=O)c4ccc(=O)oc4)C(=O)OCCO | C26H30N2O7 | 1 | 7 | 2.336 | 9 | 4 | 6 | 12 | 0 | 0 | 73.57779 |
c1ccc(c(c1)C(=O)N2CCC(CC2)[C@@H]3CCCCN3C(=O)c4ccc(=O)oc4)C(=O)OCCO | C26H30N2O7 | 1 | 7 | 2.336 | 9 | 4 | 6 | 12 | 0 | 0 | 73.57779 |