Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1492132 - Overview - Compound Synopsis

Synonyms
A2H
Molecular Formula
C20H22BClN6O9P-3
InChI
InChI=1S/C20H24BClN6O9P/c1-2-32-10-4-3-9(22)13-11(5-23)35-21(14(10)13)36-16-12(6-33-38(29,30)31)34-20(17(16)37-21)28-8-27-15-18(24)25-7-26-19(15)28/h3-4,7-8,11-12,16-17,20H,2,5-6,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/q-1/p-2/t11-,12-,16-,17-,20-,21+/m1/s1
Smiles
CCOc1ccc(Cl)c2c1[B-]1(OC2CN)OC2C(COP(=O)([O-])[O-])OC(n3cnc4c(N)ncnc43)C2O1
Cross References
UniChem145263479
canSAR1492132
PDBe (Protein Data Bank Europe)A2H
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 567.09839173373-1.136641560No