General Information of This Payload
Payload ID
PAY0KAZWK
Name
Seco-duocarmycin
Synonyms
Seco?duocarmycin
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Structure
Formula
C33H41N5O6
Isosmiles
COC1=C(N2)C(C=C2C(N3C[C@H](C4=C3C=C(OC(N(C)CCNC)=O)C5=C4C=C(N5)C(CC)=C)CO)=O)=CC(CC)=C1OC
InChI
InChI=1S/C33H41N5O6/c1-8-18(3)23-14-22-27-21(17-39)16-38(25(27)15-26(29(22)35-23)44-33(41)37(5)11-10-34-4)32(40)24-13-20-12-19(9-2)30(42-6)31(43-7)28(20)36-24/h12-15,21,34-36,39H,3,8-11,16-17H2,1-2,4-7H3/t21-/m0/s1
InChIKey
KMWNPGQUYPJUTE-NRFANRHFSA-N
Pharmaceutical Properties
Molecule Weight
603.72
Polar area
132.15
Complexity
1691.258979
xlogp Value
5.0383
Heavy Count
44
Rot Bonds
11
Hbond acc
7
Hbond Donor
4
Each Antibody-drug Conjugate Related to This Payload