CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00485418" in compound.

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CFAM Mol ID CFAMM00485418
Family CFFBM28341 Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-PC-076A7M family
Superfamily CFSBM2736 Huntingtin and Prelamin-A/C Binder Superfamily 17
Class CFCID17 Class 1367
External ID CHEMBL398145 External Source CHEMBL
PubChem CID 44432351 Functional Category Bioactive
Molecule Name AGN-PC-076A7M
IUPAC Name methyl 3-quinolin-5-ylimino-2-thia-4-azaspiro[5.5]undecane-4-carbodithioate
Synonyms CHEBI:497223;methyl 3-quinolin-5-ylimino-2-thia-4-azaspiro[5.5]undecane-4-carbodithioate
InChi InChI=1S/C20H23N3S3/c1-25-19(24)23-13-20(10-3-2-4-11-20)14-26-18(23)22-17-9-5-8-16-15(17)7-6-12-21-16/h5-9,12H,2-4,10-11,13-14H2,1H3/b22-18-
InChiKey VNEIXZRPLSFOCH-PYCFMQQDSA-N
Formula C20H23N3S3 Molecular Weight 401.61
Cross Link CHEMBL398145
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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