CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00371901" 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 CFAMM00371901
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 CHEMBL348377 External Source CHEMBL
PubChem CID 13771014 Functional Category Bioactive
Molecule Name AGN-PC-00NWZE
IUPAC Name 2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbaldehyde
Synonyms CHEBI:361202;2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbaldehyde
InChi InChI=1S/C21H28N4O3S/c26-16-17-6-5-9-22-18(17)24-14-12-23(13-15-24)10-3-4-11-25-19(27)21(29-20(25)28)7-1-2-8-21/h5-6,9,16H,1-4,7-8,10-15H2
InChiKey ZJBQDVPBSVJESO-UHFFFAOYSA-N
Formula C21H28N4O3S Molecular Weight 416.54
Cross Link CHEMBL348377
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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