CFam Chemical Families Database
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You are searching for "CFAMM00442191" in compound.

Total 1 results found.

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 CFAMM00442191
Family CFFBM17388 Sodium- and chloride-dependent glycine transporter 1 inhibitor AGN-PC-00CT4G family
Superfamily CFSBM7059 Sodium- and chloride-dependent glycine transporter 1 Binder Superfamily 5
Class CFCBM1793 Class 4843
External ID CHEMBL461108 External Source CHEMBL
PubChem CID 44564765 Functional Category Bioactive
Molecule Name AGN-PC-078XH9
IUPAC Name 2,4-dichloro-N-[[1-(2-hydroxypropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
Synonyms CHEBI:557456;2,4-dichloro-N-[[1-(2-hydroxypropylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl]benzamide
InChi InChI=1S/C21H25Cl2N3O4S/c1-15(27)13-31(29,30)26-10-7-21(8-11-26,19-4-2-3-9-24-19)14-25-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15,27H,7-8,10-11,13-14H2,1H3,(H,25,28)
InChiKey RBRLRTCNNWYHOC-UHFFFAOYSA-N
Formula C21H25Cl2N3O4S Molecular Weight 486.41
Cross Link CHEMBL461108
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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