Payload Information
General Information of This Payload
| Payload ID | PAY0RNTAQ |
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|---|---|---|---|---|---|---|
| Name | TW202500135A-1 payload |
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| Synonyms |
SCHEMBL25310587; SCHEMBL25749161; SCHEMBL25749164; SCHEMBL30296631
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| Target | DNA topoisomerase I (TOP1) | |||||
| Formula | C31H32FN3O6 |
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| Isosmiles | CC[C@@](C(C=C1C2=NC3=CC(F)=C(C)C4=C3C([C@@H](NC([C@@H]5CC[C@@H](O)CC5)=O)CC4)=C2CN61)=C(C6=O)CO7)(O)C7=O |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C31H32FN3O6/c1-3-31(40)20-10-24-27-18(12-35(24)29(38)19(20)13-41-30(31)39)26-22(34-28(37)15-4-6-16(36)7-5-15)9-8-17-14(2)21(32)11-23(33-27)25(17)26/h10-11,15-16,22,36,40H,3-9,12-13H2,1-2H3,(H,34,37)/t15-,16-,22-,31-/m0/s1
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| InChIKey |
HROZRVPHLGMXAY-BGSHVETOSA-N
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| Pharmaceutical Properties | Molecule Weight |
561.61 |
Polar area |
130.75 |
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Complexity |
1677.906719 |
xlogp Value |
3.18172 |
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Heavy Count |
41 |
Rot Bonds |
3 |
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Hbond acc |
8 |
Hbond Donor |
3 |
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Each Antibody-drug Conjugate Related to This Payload