General Information of This Payload
Payload ID
PAY0ZCLEY
Name
MNB-Pyra
Synonyms
MNB-Pyra
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Formula
C44H52N7O4S2+2
Isosmiles
CC(CC(C)(SC(C([NH+]C1=CC=C(N2C(C(C)C(C)=N2)=O)C=C1)=O)C)C)C(NCCC/[NH+]=C3C(C=CC=C4)=C4C5=NC(C=CC(N6CCOCC6)=C7)=C7SC5=C\3)=O
InChI
InChI=1S/C44H51N7O4S2/c1-27(26-44(5,6)57-30(4)42(53)47-31-12-14-32(15-13-31)51-43(54)28(2)29(3)49-51)41(52)46-19-9-18-45-37-25-39-40(35-11-8-7-10-34(35)37)48-36-17-16-33(24-38(36)56-39)50-20-22-55-23-21-50/h7-8,10-17,24-25,27-28,30,47H,9,18-23,26H2,1-6H3,(H,46,52)/q+1/p+1
InChIKey
JZEAAOMYGBWSLJ-UHFFFAOYSA-O
Pharmaceutical Properties
Molecule Weight
807.079
Polar area
133.77
Complexity
2290.510172
xlogp Value
4.3711
Heavy Count
57
Rot Bonds
13
Hbond acc
9
Hbond Donor
3
Each Antibody-drug Conjugate Related to This Payload