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

120181 - Overview - Compound Synopsis

Synonyms
CB-3717CB3
TCMDC-131823
Molecular Formula
C24H23N5O6
InChI
InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
Smiles
C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Cross References
UniChem578551
canSAR120181
PDBe (Protein Data Bank Europe)CB3
ChEMBLCHEMBL389051
BindingDB18771
BindingDB50158424
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 477.1648334561.192961158No


Compounds with the same scaffold


Image of compound ID: 120181
Murko Scaffold Family: 652 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12