General Information of This Payload
Payload ID
PAY0TDKZZ
Name
INX-SM-1 payload
Synonyms
INX-SM-1
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Structure
Formula
C32H36N2O6S
Isosmiles
C[C@]1([C@@]([C@H]2C[C@@]1([H])[C@]3([H])CCC4=CC5=O)(O[C@@H](O2)C6=CC=C(C=C6)CC(S7)=CN=C7N)C(CO)=O)C[C@H](O)[C@]3([H])[C@]4(C=C5)C
PubChem CID
167165056
InChI
InChI=1S/C32H36N2O6S/c1-30-10-9-20(36)12-19(30)7-8-22-23-13-26-32(25(38)16-35,31(23,2)14-24(37)27(22)30)40-28(39-26)18-5-3-17(4-6-18)11-21-15-34-29(33)41-21/h3-6,9-10,12,15,22-24,26-28,35,37H,7-8,11,13-14,16H2,1-2H3,(H2,33,34)/t22-,23-,24-,26+,27+,28+,30-,31-,32+/m0/s1
InChIKey
ZDAXXHKXIIPEKG-IVXBLPLSSA-N
Pharmaceutical Properties
Molecule Weight
576.715
Polar area
131.97
Complexity
1573.494275
xlogp Value
3.9189
Heavy Count
41
Rot Bonds
5
Hbond acc
9
Hbond Donor
3
Each Antibody-drug Conjugate Related to This Payload