CFam Chemical Families Database
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You are searching for "CFAMM00371906" 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 CFAMM00371906
Family CFFBM6356 Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ligand AGN-PC-00NWZG family
Superfamily CFSBM3670 P2Y purinoceptor 12 and Histone deacetylase 1 Binder Superfamily
Class CFCBM959 Class 4009
External ID CHEMBL349112 External Source CHEMBL
PubChem CID 13771026 Functional Category Bioactive
Molecule Name AGN-PC-00NWZL
IUPAC Name 3-[4-[4-(3-chloropyridin-2-yl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione
Synonyms CHEBI:360621;3-[4-[4-(3-chloropyridin-2-yl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione
InChi InChI=1S/C20H27ClN4O2S/c21-16-6-5-9-22-17(16)24-14-12-23(13-15-24)10-3-4-11-25-18(26)20(28-19(25)27)7-1-2-8-20/h5-6,9H,1-4,7-8,10-15H2
InChiKey PTBHTCKFKFQPHA-UHFFFAOYSA-N
Formula C20H27ClN4O2S Molecular Weight 422.97
Cross Link CHEMBL349112
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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