CFam Chemical Families Database
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You are searching for "CFAMM00458740" 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 CFAMM00458740
Family CFFBM21251 Acyl-CoA:cholesterol acyltransferase inhibitor 3-(2-chloro-6-methylpyridin-3-yl)-1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea family
Superfamily CFSBM1056 5-hydroxytryptamine receptor 2A and Beta-lactamase Binder Superfamily
Class CFCBM120 Class 3170
External ID CHEMBL139173 External Source CHEMBL
PubChem CID 10744436 Functional Category Bioactive
Molecule Name 1-cycloheptyl-3-(2,4-dichloro-6-methylpyridin-3-yl)-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea
IUPAC Name 1-cycloheptyl-3-(2,4-dichloro-6-methylpyridin-3-yl)-1-[[4-(4-fluorophenoxy)phenyl]methyl]urea
Synonyms CHEBI:328399
InChi InChI=1S/C27H28Cl2FN3O2/c1-18-16-24(28)25(26(29)31-18)32-27(34)33(21-6-4-2-3-5-7-21)17-19-8-12-22(13-9-19)35-23-14-10-20(30)11-15-23/h8-16,21H,2-7,17H2,1H3,(H,32,34)
InChiKey RMNCJFQVJCRCQN-UHFFFAOYSA-N
Formula C27H28Cl2FN3O2 Molecular Weight 516.43
Cross Link CHEMBL139173
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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