CFam Chemical Families Database
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You are searching for "CFAMM00402365" in compound.

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CFAM Mol ID CFAMM00402365
Family CFFBM10470 Bifunctional epoxide hydrolase 2 inhibitor Urea-based compound, 20 family
Superfamily CFSBM5182 Bifunctional epoxide hydrolase 2 Binder Superfamily 9
Class CFCID1066 Class 2416
External ID CHEMBL242459 External Source CHEMBL
PubChem CID 16038368 Functional Category Bioactive
Molecule Name Urea-based compound, 20
IUPAC Name 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
Synonyms Urea-based compound, 21;SureCN653866;SureCN653867;AGN-PC-00RXF0;SureCN14150188;MLS002415558;CHEMBL244405;CHEBI:487256;CHEBI:487287
InChi InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
InChiKey KNBWKJBQDAQARU-KSSCSKLYSA-N
Formula C24H32N2O4 Molecular Weight 412.52
Cross Link CHEMBL244405
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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