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

1016429 - Overview - Compound Synopsis

Synonyms
0GH
Molecular Formula
C35H47N5O6S
InChI
InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25-,30+,32+/m1/s1
Smiles
CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O
Cross References
UniChem27265896
canSAR1016429
PDBe (Protein Data Bank Europe)0GH
ChEMBLCHEMBL2179132
BindingDB50398477
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 665.3247052243.025751194No


Compounds with the same scaffold


Image of compound ID: 1016429
Murko Scaffold Family: 28 compoundsClick here to open a new canSAR search with these compounds

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