Payload Information
General Information of This Payload
| Payload ID | PAY0IPVXS |
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|---|---|---|---|---|---|---|
| Name | T-12 |
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| Synonyms |
T-12
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| Structure |
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| Formula | C67H75N5O25 |
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| Isosmiles | COC1=CC(C(N(C2)[C@@](C(N3C(OCC4=CC=C(O[C@H](O5)[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)C=C4)=O)O)([H])CC2=C)=O)=C3C=C1OCC6=CC(CN(C)C)=CC(COC7=C(OC)C=C(C8=O)C(N(C(O)[C@]9([H])CC(CN89)=C)C(OCC%10=CC=C(O[C@H](O%11)[C@H](O)[C@@H](O)[C@@H](O)[C@H]%11C(O)=O)C=C%10)=O)=C7)=C6 |
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| InChI |
InChI=1S/C67H75N5O25/c1-32-15-45-61(82)71(66(86)92-28-34-7-11-39(12-8-34)94-64-56(78)53(75)52(74)51(27-73)96-64)43-22-49(47(88-5)20-41(43)59(80)69(45)24-32)90-30-37-17-36(26-68(3)4)18-38(19-37)31-91-50-23-44-42(21-48(50)89-6)60(81)70-25-33(2)16-46(70)62(83)72(44)67(87)93-29-35-9-13-40(14-10-35)95-65-57(79)54(76)55(77)58(97-65)63(84)85/h7-14,17-23,45-46,51-58,61-62,64-65,73-79,82-83H,1-2,15-16,24-31H2,3-6H3,(H,84,85)/t45-,46-,51+,52-,53-,54-,55+,56+,57+,58-,61?,62?,64+,65+/m0/s1
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| InChIKey |
PNHCOWQLLARQBP-KMRNEDHKSA-N
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| Pharmaceutical Properties | Molecule Weight |
1350.347 |
Polar area |
396.15 |
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Complexity |
3803.505898 |
xlogp Value |
1.8649 |
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Heavy Count |
97 |
Rot Bonds |
20 |
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Hbond acc |
25 |
Hbond Donor |
10 |
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Each Antibody-drug Conjugate Related to This Payload