Payload Information
General Information of This Payload
| Payload ID | PAY0SFRLL |
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|---|---|---|---|---|---|---|
| Name | N- (4- ((S)-2- ((S)-2-amino-3- methylbutanamido)propanamido)phenyl)-4- (4- (4- (4- (( (S)-2-methoxy-12-oxo-6a,7,8,9,10,12-hexahydrobenzo[e]pyrido[1,2-a][1,4]diazepin-3-yl)oxy)butanamido)-1-methyl-1H-pyrrole-2-carboxamido)phenyl)-1-methyl-1H-pyrrole-2-carboxamide |
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| Synonyms |
compound 36
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| Target | DNA topoisomerase I (TOP1) | |||||
| Structure |
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| Formula | C50H58N10O8 |
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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(NC([C@@H](NC([C@@H](N)C(C)C)=O)C)=O)C=C7 |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C50H58N10O8/c1-29(2)45(51)49(65)53-30(3)46(62)55-34-16-18-35(19-17-34)57-47(63)40-22-32(27-58(40)4)31-12-14-33(15-13-31)56-48(64)41-23-36(28-59(41)5)54-44(61)11-9-21-68-43-25-39-38(24-42(43)67-6)50(66)60-20-8-7-10-37(60)26-52-39/h12-19,22-30,37,45H,7-11,20-21,51H2,1-6H3,(H,53,65)(H,54,61)(H,55,62)(H,56,64)(H,57,63)/t30-,37-,45-/m0/s1
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| InChIKey |
BRBXGKDJYFCKLG-IRDFFLOYSA-N
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| Pharmaceutical Properties | Molecule Weight |
927.076 |
Polar area |
232.51 |
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Complexity |
2701.608803 |
xlogp Value |
6.4786 |
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Heavy Count |
68 |
Rot Bonds |
17 |
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Hbond acc |
12 |
Hbond Donor |
6 |
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Each Antibody-drug Conjugate Related to This Payload