CFam Chemical Families Database
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You are searching for "CFAMM00431410" in compound.

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CFAM Mol ID CFAMM00431410
Family CFFBM14968 Substance-P receptor ligand (4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide family
Superfamily CFSAD139 HIV protease Inhibitor Saquinavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL554413 External Source CHEMBL
PubChem CID 45260526 Functional Category Bioactive
Molecule Name (4R)-N-[(2R)-3-(4-aminophenyl)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
IUPAC Name (4R)-N-[(2R)-3-(4-aminophenyl)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
Synonyms
InChi InChI=1S/C32H35N5O4.ClH/c1-35-20-26(25-10-6-7-11-28(25)35)31(40)37-19-24(38)17-29(37)30(39)34-27(16-21-12-14-23(33)15-13-21)32(41)36(2)18-22-8-4-3-5-9-22;/h3-15,20,24,27,29,38H,16-19,33H2,1-2H3,(H,34,39);1H/t24-,27-,29?;/m1./s1
InChiKey NPRZPNDMXADLJH-MRXWIBGFSA-N
Formula C32H36ClN5O4 Molecular Weight 590.11
Cross Link CHEMBL554413
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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