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

748287 - Overview - Compound Synopsis

Synonyms
HEMPP9
Molecular Formula
C34H34N4O4
InChI
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
Smiles
C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C
Cross References
UniChem653917
canSAR748287
PDBe (Protein Data Bank Europe)HEM
PDBe (Protein Data Bank Europe)PP9
ChEMBLCHEMBL1235399
ChEMBLCHEMBL1618319
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 562.2580055687.424084876No


Compounds with the same scaffold


Image of compound ID: 748287
Murko Scaffold Family: 81 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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