CFam Chemical Families Database
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You are searching for "CFAMM00248909" in compound.

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CFAM Mol ID CFAMM00248909
Family CFFID1740 Bifunctional epoxide hydrolase 2 Inhibitor N-(3-chloro-phenyl)-2-cyclohexyl-acetamide Family
Superfamily CFSID1338 Cruzipain and Bifunctional epoxide hydrolase 2 Binder Superfamily
Class CFCAD564 Class 564
External ID CHEMBL231825 External Source CHEMBL
PubChem CID 11432502 Functional Category Bioactive
Molecule Name N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
IUPAC Name N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
Synonyms CHEBI:495032
InChi InChI=1S/C29H39ClN4O3/c30-23-4-3-5-24(15-23)33-10-8-32(9-11-33)6-1-2-7-34-26(35)16-25(27(34)36)31-28(37)29-17-20-12-21(18-29)14-22(13-20)19-29/h3-5,15,20-22,25H,1-2,6-14,16-19H2,(H,31,37)/t20?,21?,22?,25-,29?/m0/s1
InChiKey PWFKOTHBUIUXGW-FADFPCINSA-N
Formula C29H39ClN4O3 Molecular Weight 527.10
Cross Link CHEMBL231825
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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