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

472838 - Overview - Compound Synopsis

Synonyms
5QCBMS-740808
Molecular Formula
C31H27F3N6O3
InChI
InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1
Smiles
Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc3)CC4)cc12
Cross References
UniChem239957
canSAR472838
PDBe (Protein Data Bank Europe)5QC
ChEMBLCHEMBL378093
BindingDB12693
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 588.2096733845.0513970No


Compounds with the same scaffold


Image of compound ID: 472838
Murko Scaffold Family: 299 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12