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

2009175 - Overview - Compound Synopsis

Synonyms
A52
Molecular Formula
C20H23BN6O9P-3
InChI
InChI=1S/C20H25BN6O9P/c1-2-31-11-5-3-4-10-12(6-22)34-21(14(10)11)35-16-13(7-32-37(28,29)30)33-20(17(16)36-21)27-9-26-15-18(23)24-8-25-19(15)27/h3-5,8-9,12-13,16-17,20H,2,6-7,22H2,1H3,(H2,23,24,25)(H2,28,29,30)/q-1/p-2/t12-,13-,16-,17-,20-,21+/m1/s1
Smiles
CCOc1cccc2c1[B-]1(OC2CN)OC2C(COP(=O)([O-])[O-])OC(n3cnc4c(N)ncnc43)C2O1
Cross References
UniChem145263480
canSAR2009175
PDBe (Protein Data Bank Europe)A52
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 533.13736408573-1.7941560No