Payload Information
General Information of This Payload
| Payload ID | PAY0RMEAK |
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|---|---|---|---|---|---|---|
| Name | WO2022197877A1+compound 9+payload |
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| Synonyms |
WO2022197877A1+compound 9+payload
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| Structure |
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| Formula | C115H151N19O32 |
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| Isosmiles | COC1=CC(C(N2[C@](CC(C2)=C)([H])CO)=O)=C(NC(OC(C(N3CCN(CC3)C(CN(CCN(CC(O)=O)CC4)CCN(CCN4CC(O)=O)CC(O)=O)=O)=O)C5=CC=C(NC(OC6/C=C/CCCCC6)=O)C=C5)=O)C=C1OCC7=CC(COC8=C(OC)C=C(C(N9[C@](CC(C9)=C)([H])CO)=O)C(NC(OC(C(N%10CCN(CC%10)C(CN(CCN(CC(O)=O)CC%11)CCN(CCN%11CC(O)=O)CC(O)=O)=O)=O)C%12=CC=C(NC(OC%13/C=C/CCCCC%13)=O)C=C%12)=O)=C8)=CC(C#CCN)=C7 |
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| InChI |
InChI=1S/C115H151N19O32/c1-77-54-86(73-135)133(63-77)108(151)90-59-94(159-3)96(61-92(90)119-114(157)165-106(82-21-25-84(26-22-82)117-112(155)163-88-17-11-7-5-8-12-18-88)110(153)131-50-46-129(47-51-131)98(137)65-121-30-34-123(67-100(139)140)38-42-127(71-104(147)148)43-39-124(35-31-121)68-101(141)142)161-75-80-56-79(16-15-29-116)57-81(58-80)76-162-97-62-93(91(60-95(97)160-4)109(152)134-64-78(2)55-87(134)74-136)120-115(158)166-107(83-23-27-85(28-24-83)118-113(156)164-89-19-13-9-6-10-14-20-89)111(154)132-52-48-130(49-53-132)99(138)66-122-32-36-125(69-102(143)144)40-44-128(72-105(149)150)45-41-126(37-33-122)70-103(145)146/h11,13,17,19,21-28,56-62,86-89,106-107,135-136H,1-2,5-10,12,14,18,20,29-55,63-76,116H2,3-4H3,(H,117,155)(H,118,156)(H,119,157)(H,120,158)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)/t86-,87-,88?,89?,106?,107?/m0/s1
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| InChIKey |
FPEGXWVMORWCQK-ICMGUIBSSA-N
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| Pharmaceutical Properties | Molecule Weight |
2311.574 |
Polar area |
628.3 |
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Complexity |
5844.695484 |
xlogp Value |
5.4448 |
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Heavy Count |
166 |
Rot Bonds |
40 |
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Hbond acc |
35 |
Hbond Donor |
13 |
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Each Antibody-drug Conjugate Related to This Payload