Payload Information
General Information of This Payload
| Payload ID | PAY0HCKVF |
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|---|---|---|---|---|---|---|
| Name | WO2022197877A1+compound 10+payload |
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| Synonyms |
WO2022197877A1+compound 10+payload
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| Structure |
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| Formula | C115H147N19O32 |
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| Isosmiles | COC1=CC(C2=O)=C(N(C(O)[C@]3([H])CC(CN32)=C)C(OC(C(N4CCN(CC4)C(CN(CCN(CC(O)=O)CC5)CCN(CCN5CC(O)=O)CC(O)=O)=O)=O)C6=CC=C(NC(OC7/C=C/CCCCC7)=O)C=C6)=O)C=C1OCC8=CC(COC9=C(OC)C=C(C%10=O)C(N(C(O)[C@]%11([H])CC(CN%11%10)=C)C(OC(C(N%12CCN(CC%12)C(CN(CCN(CC(O)=O)CC%13)CCN(CCN%13CC(O)=O)CC(O)=O)=O)=O)C%14=CC=C(NC(OC%15/C=C/CCCCC%15)=O)C=C%14)=O)=C9)=CC(C#CCN)=C8 |
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| InChI |
InChI=1S/C115H147N19O32/c1-75-54-90-108(151)133(114(157)165-104(80-21-25-82(26-22-80)117-112(155)163-84-17-11-7-5-8-12-18-84)110(153)129-50-46-127(47-51-129)96(135)65-119-30-34-121(67-98(137)138)38-42-125(71-102(145)146)43-39-122(35-31-119)68-99(139)140)88-61-94(92(159-3)59-86(88)106(149)131(90)63-75)161-73-78-56-77(16-15-29-116)57-79(58-78)74-162-95-62-89-87(60-93(95)160-4)107(150)132-64-76(2)55-91(132)109(152)134(89)115(158)166-105(81-23-27-83(28-24-81)118-113(156)164-85-19-13-9-6-10-14-20-85)111(154)130-52-48-128(49-53-130)97(136)66-120-32-36-123(69-100(141)142)40-44-126(72-103(147)148)45-41-124(37-33-120)70-101(143)144/h11,13,17,19,21-28,56-62,84-85,90-91,104-105,108-109,151-152H,1-2,5-10,12,14,18,20,29-55,63-74,116H2,3-4H3,(H,117,155)(H,118,156)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)/t84?,85?,90-,91-,104?,105?,108?,109?/m0/s1
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| InChIKey |
YLBZUURBFJPGDD-DODKCSQISA-N
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| Pharmaceutical Properties | Molecule Weight |
2307.542 |
Polar area |
610.72 |
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Complexity |
5997.122553 |
xlogp Value |
4.9132 |
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Heavy Count |
166 |
Rot Bonds |
34 |
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Hbond acc |
35 |
Hbond Donor |
11 |
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Each Antibody-drug Conjugate Related to This Payload