General Information of This Payload
Payload ID
PAY0IMEAO
Name
Biorthogonal azide 9
Synonyms
biorthogonal azide 9
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Formula
C30H31F3N6O3S
Isosmiles
CC[N+]1=C2C(C=CC=C2)=C(C=C1)/C=C/C=C3N(C4=CC=CC=C4S/3)CCCC(NCCCN=[N+]=[N-])=O.FC(F)(C([O-])=O)F
InChI
InChI=1S/C28H30N6OS.C2HF3O2/c1-2-33-21-17-22(23-11-3-4-12-24(23)33)10-7-16-28-34(25-13-5-6-14-26(25)36-28)20-8-15-27(35)30-18-9-19-31-32-29;3-2(4,5)1(6)7/h3-7,10-14,16-17,21H,2,8-9,15,18-20H2,1H3;(H,6,7)
InChIKey
DMYBDHWSTOXAEX-UHFFFAOYSA-N
Pharmaceutical Properties
Molecule Weight
612.678
Polar area
125.11
Complexity
1475.952304
xlogp Value
5.5095
Heavy Count
43
Rot Bonds
11
Hbond acc
6
Hbond Donor
1
Each Antibody-drug Conjugate Related to This Payload