General Information of This Payload
Payload ID
PAY0ZGYZO
Name
sulfonated DGN462
Synonyms
sulfonated-DGN462
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Target(s) Human Deoxyribonucleic acid (hDNA)
Structure
Formula
C42H39N5O9S
Isosmiles
COc1cc2c(cc1OCc1cc(N)cc(COc3cc4c(cc3OC)C(=O)N3c5ccccc5CC3C(S(=O)(=O)O)N4)c1)NCC1Cc3ccccc3N1C2=O
InChI
InChI=1S/C42H39N5O9S/c1-53-36-16-29-31(44-20-28-14-25-7-3-5-9-33(25)46(28)41(29)48)18-38(36)55-21-23-11-24(13-27(43)12-23)22-56-39-19-32-30(17-37(39)54-2)42(49)47-34-10-6-4-8-26(34)15-35(47)40(45-32)57(50,51)52/h3-13,16-19,28,35,40,44-45H,14-15,20-22,43H2,1-2H3,(H,50,51,52)
InChIKey
LNTHYQPNMCBHEP-UHFFFAOYSA-N
IUPAC Name
.
Pharmaceutical Properties
Molecule Weight
789.867
Polar area
181.99
Complexity
789.2468488
xlogp Value
5.6519
Heavy Count
57
Rot Bonds
9
Hbond acc
11
Hbond Donor
4
Each Antibody-drug Conjugate Related to This Payload