CFam Chemical Families Database
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You are searching for "CFAMM00342709" in compound.

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CFAM Mol ID CFAMM00342709
Family CFFBM3041 Prothrombin inhibitor (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide family
Superfamily CFSAD780 DNA topoisomerase 2-beta Inhibitor Quinolones Superfamily
Class CFCAD163 Class 163
External ID CHEMBL131999 External Source CHEMBL
PubChem CID 10692676 Functional Category Bioactive
Molecule Name (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
IUPAC Name (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide
Synonyms CHEBI:316222
InChi InChI=1S/C21H31N3O5/c1-29-18-11-14(6-9-17(18)25)19(26)21(28)24-10-2-3-16(24)20(27)23-12-13-4-7-15(22)8-5-13/h6,9,11,13,15-16,19,25-26H,2-5,7-8,10,12,22H2,1H3,(H,23,27)/t13?,15?,16-,19?/m0/s1
InChiKey OCDWWDXGOPSTGL-GHHHVOPSSA-N
Formula C21H31N3O5 Molecular Weight 405.49
Cross Link CHEMBL131999
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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