CFam Chemical Families Database
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You are searching for "CFAMM00248880" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00248880
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 CHEMBL168948 External Source CHEMBL
PubChem CID 11533234 Functional Category Bioactive
Molecule Name AGN-PC-00B1JS
IUPAC Name N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-phenylcyclohexane-1-carboxamide
Synonyms CHEMBL361228;CHEBI:431648;CHEBI:431669;N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-phenylcyclohexane-1-carboxamide
InChi InChI=1S/C27H35Cl2N3O/c28-24-9-6-10-25(26(24)29)32-19-17-31(18-20-32)16-5-4-15-30-27(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-10,22-23H,4-5,11-20H2,(H,30,33)/t22-,23+
InChiKey SCZQIQLIELOGMA-ZRZAMGCNSA-N
Formula C27H35Cl2N3O Molecular Weight 488.49
Cross Link CHEMBL361228
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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