Payload Information
General Information of This Payload
| Payload ID | PAY0OOISA |
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|---|---|---|---|---|---|---|
| Name | PBD aromatic-amide derivative |
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| Synonyms |
compound 26
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| Target | DNA topoisomerase I (TOP1) | |||||
| Structure |
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| Formula | C42H44N8O6 |
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| Isosmiles | O=C(C1=CC(C2=CC=C(NC(C3=CC(NC(CCCOC4=C(OC)C=C5C(N=C[C@@](CCCC6)([H])N6C5=O)=C4)=O)=CN3C)=O)C=C2)=CN1C)NC7=CC=C(N)C=C7 |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C42H44N8O6/c1-48-24-27(19-35(48)40(52)47-30-15-11-28(43)12-16-30)26-9-13-29(14-10-26)46-41(53)36-20-31(25-49(36)2)45-39(51)8-6-18-56-38-22-34-33(21-37(38)55-3)42(54)50-17-5-4-7-32(50)23-44-34/h9-16,19-25,32H,4-8,17-18,43H2,1-3H3,(H,45,51)(H,46,53)(H,47,52)/t32-/m0/s1
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| InChIKey |
RWJUIBSKNCGGPE-YTTGMZPUSA-N
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| Pharmaceutical Properties | Molecule Weight |
756.864 |
Polar area |
174.31 |
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Complexity |
2301.781725 |
xlogp Value |
6.6343 |
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Heavy Count |
56 |
Rot Bonds |
12 |
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Hbond acc |
10 |
Hbond Donor |
4 |
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Each Antibody-drug Conjugate Related to This Payload