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

1287707 - Overview - Compound Synopsis

Synonyms
3JB
Molecular Formula
C20H17N7O2
InChI
InChI=1S/C20H17N7O2/c1-12-25-18(26-29-12)16-10-27(5-6-28-16)20-17-15(9-22-19(17)23-11-24-20)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)/t16-/m1/s1
Smiles
Cc1nc([C@H]2CN(c3ncnc4[nH]cc(-c5cccc(C#N)c5)c34)CCO2)no1
Cross References
UniChem99965870
canSAR1287707
PDBe (Protein Data Bank Europe)3JB
ChEMBLCHEMBL3393450
BindingDB50059295
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 387.1443727842.76591946No


Compounds with the same scaffold


Image of compound ID: 1287707
Murko Scaffold Family: 4 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12