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

350446 - Overview - Compound Synopsis

Synonyms
REMREMIKIREN
Remikiren
Molecular Formula
C33H50N4O6S
InChI
InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1
Smiles
CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Cross References
UniChem539592
canSAR350446
PDBe (Protein Data Bank Europe)REM
ChEMBLCHEMBL31601
BindingDB50077669
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 630.345106323.096251094No


Compounds with the same scaffold


Image of compound ID: 350446
Murko Scaffold Family: 2 compoundsClick here to open a new canSAR search with these compounds

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