CFam Chemical Families Database
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You are searching for "CFAMM00451019" 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 CFAMM00451019
Family CFFBM19209 Thromboxane-A synthase inhibitor AGN-PC-00FAD1 family
Superfamily CFSID2817 Neuronal acetylcholine receptor subunit beta-2 Ligand ABT-594 Superfamily
Class CFCID1043 Class 2393
External ID CHEMBL117538 External Source CHEMBL
PubChem CID 10551940 Functional Category Bioactive
Molecule Name SureCN8304384
IUPAC Name 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoic acid
Synonyms CHEBI:291122;L007493
InChi InChI=1S/C22H21ClN2O5S/c23-18-4-6-21(7-5-18)31(28,29)25-11-9-17-12-16(3-8-22(26)27)13-20(14-17)30-19-2-1-10-24-15-19/h1-2,4-7,10,12-15,25H,3,8-9,11H2,(H,26,27)
InChiKey HWVYQQTUUJCMIV-UHFFFAOYSA-N
Formula C22H21ClN2O5S Molecular Weight 460.93
Cross Link CHEMBL117538
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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