CFam Chemical Families Database
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You are searching for "CFAMM00219986" in compound.

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CFAM Mol ID CFAMM00219986
Family CFFID854 Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-methyl Ketone Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID CHEMBL153813 External Source CHEMBL
PubChem CID 5287799 Functional Category Bioactive
Molecule Name MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
IUPAC Name N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
Synonyms AC1NRABK;CHEBI:352770;DB03767;Morpholine-4-Carboxylic Acid [1S-(2-Benzyloxy-1R-Cyano-Ethylcarbamoyl)-3-Methylbutyl]amide;(2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-2-(morpholine-4-carbonylamino)pentanamide;N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
InChi InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1
InChiKey LXEDKIMJQBOMSU-MOPGFXCFSA-N
Formula C21H30N4O4 Molecular Weight 402.49
Cross Link CHEMBL153813 DB03767
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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Dr. Chen Yuzong

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


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