General Information of This Payload
Payload ID
PAY0EPKMA
Name
PA-seco-CBI-dimer
Synonyms
PA-seco-CBI-dimer
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Target(s) Human Deoxyribonucleic acid (hDNA)
Structure
Formula
C41H38Cl2N4O11P2
Isosmiles
NCCC(=O)Nc1cc(/C=C/C(=O)N2CC(CCl)c3c2cc(OP(=O)(O)O)c2ccccc32)ccc1/C=C/C(=O)N1CC(CCl)c2c1cc(OP(=O)(O)O)c1ccccc21
InChI
InChI=1S/C41H38Cl2N4O11P2/c42-20-26-22-46(33-18-35(57-59(51,52)53)28-5-1-3-7-30(28)40(26)33)38(49)13-10-24-9-11-25(32(17-24)45-37(48)15-16-44)12-14-39(50)47-23-27(21-43)41-31-8-4-2-6-29(31)36(19-34(41)47)58-60(54,55)56/h1-14,17-19,26-27H,15-16,20-23,44H2,(H,45,48)(H2,51,52,53)(H2,54,55,56)/b13-10+,14-12+
InChIKey
XSFOUHIROCASKB-ADWQEOMMSA-N
Pharmaceutical Properties
Molecule Weight
895.626
Polar area
229.26
Complexity
60
xlogp Value
6.9881
Heavy Count
60
Rot Bonds
13
Hbond acc
8
Hbond Donor
6
Each Antibody-drug Conjugate Related to This Payload

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