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

105231 - Overview - Compound Synopsis

Synonyms
5HA
Molecular Formula
C31H38N4O5S
InChI
InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
Smiles
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
Cross References
UniChem265764
canSAR105231
PDBe (Protein Data Bank Europe)5HA
ChEMBLCHEMBL378225
BindingDB16034
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 578.2562913163.02744979No


Compounds with the same scaffold


Image of compound ID: 105231
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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