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

68811 - Overview - Compound Synopsis

Synonyms
BAV
Molecular Formula
C29H49N3O3
InChI
InChI=1S/C29H49N3O3/c1-21(2)25-15-12-14-24(18-25)19-30-20-27(33)26-17-22(3)13-10-8-6-7-9-11-16-28(34)32(5)23(4)29(35)31-26/h12,14-15,18,21-23,26-27,30,33H,6-11,13,16-17,19-20H2,1-5H3,(H,31,35)/t22-,23+,26+,27-/m1/s1
Smiles
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1
Cross References
UniChem412744
canSAR68811
PDBe (Protein Data Bank Europe)BAV
ChEMBLCHEMBL564010
BindingDB50294219
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 487.3773924284.75283684No


Compounds with the same scaffold


Image of compound ID: 68811
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12