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

860003 - Overview - Compound Synopsis

Synonyms
3HH
Molecular Formula
C34H37F2N5O4
InChI
InChI=1S/C34H37F2N5O4/c1-4-5-11-40(2)34(44)41-21-29(28-15-22(18-37)9-10-31(28)41)33(43)39-30(16-24-12-25(35)17-26(36)13-24)32(42)20-38-19-23-7-6-8-27(14-23)45-3/h6-10,12-15,17,21,30,32,38,42H,4-5,11,16,19-20H2,1-3H3,(H,39,43)/t30-,32+/m0/s1
Smiles
CCCCN(C)C(=O)n1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c2cc(C#N)ccc21
Cross References
UniChem1039198
canSAR860003
ChEMBLCHEMBL1738725
PDBe (Protein Data Bank Europe)3HH
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 617.2813611044.991583982No


Compounds with the same scaffold


Image of compound ID: 860003
Murko Scaffold Family: 2 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12