CFam Chemical Families Database
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You are searching for "CFAMM00380797" 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 CFAMM00380797
Family CFFBM7502 Prostaglandin D2 receptor 2 ligand SureCN1713638 family
Superfamily CFSBM4181 Prostaglandin D2 receptor 2 and Beta-lactamase Binder Superfamily
Class CFCCD248 Class 1061
External ID CHEMBL1689127 External Source CHEMBL
PubChem CID 11633473 Functional Category Bioactive
Molecule Name SureCN1713638
IUPAC Name 2-[4-chloro-2-[[(3S)-4-[2-(4-fluorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
Synonyms CHEBI:1177539
InChi InChI=1S/C22H24ClFN2O4/c1-15-12-25(13-17-11-18(23)4-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-5-19(24)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
InChiKey HETDCNLHSCWGNG-HNNXBMFYSA-N
Formula C22H24ClFN2O4 Molecular Weight 434.89
Cross Link CHEMBL1689127
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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