Payload Information
General Information of This Payload
| Payload ID | PAY0LAFHR |
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|---|---|---|---|---|---|---|
| Name | WO2022197877A1+Synthesis Example 2+payload |
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| Synonyms |
WO2022197877A1+Synthesis Example 2+payload
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| Structure |
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| Formula | C72H93N11O22 |
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| Isosmiles | COC1=CC(C2=O)=C(N(C(O)[C@]3([H])CC(CN32)=C)C(O)=O)C=C1OCCCCCOC4=C(OC)C=C(C5=O)C(N(C(O)[C@]6([H])CC(CN65)=C)C(OC(C(N7CCN(CC7)C(CN8CCN(CC(O)=O)CCN(CCN(CC8)CC(O)=O)CC(O)=O)=O)=O)C9=CC=C(NC(OC%10CCCCC/C=C/%10)=O)C=C9)=O)=C4 |
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| InChI |
InChI=1S/C72H93N11O22/c1-45-33-54-67(93)82(71(97)98)52-37-58(56(100-3)35-50(52)65(91)80(54)39-45)102-31-11-8-12-32-103-59-38-53-51(36-57(59)101-4)66(92)81-40-46(2)34-55(81)68(94)83(53)72(99)105-64(47-15-17-48(18-16-47)73-70(96)104-49-13-9-6-5-7-10-14-49)69(95)79-29-27-78(28-30-79)60(84)41-74-19-21-75(42-61(85)86)23-25-77(44-63(89)90)26-24-76(22-20-74)43-62(87)88/h9,13,15-18,35-38,49,54-55,64,67-68,93-94H,1-2,5-8,10-12,14,19-34,39-44H2,3-4H3,(H,73,96)(H,85,86)(H,87,88)(H,89,90)(H,97,98)/t49?,54-,55-,64?,67?,68?/m0/s1
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| InChIKey |
JSXXRDIYPLDMQR-GOZDWMIZSA-N
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| Pharmaceutical Properties | Molecule Weight |
1464.591 |
Polar area |
391.89 |
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Complexity |
3729.01329 |
xlogp Value |
4.2896 |
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Heavy Count |
105 |
Rot Bonds |
23 |
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Hbond acc |
22 |
Hbond Donor |
7 |
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Each Antibody-drug Conjugate Related to This Payload