CFam Chemical Families Database
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You are searching for "CFAMM00455364" 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 CFAMM00455364
Family CFFBM20321 Adenosine receptor A1 and Adenosine receptor A2a ligand AGN-PC-09M6IS family
Superfamily CFSBM4857 Metabotropic glutamate receptor 5 and Menin Binder Superfamily
Class CFCCD473 Class 1286
External ID CHEMBL1278104 External Source CHEMBL
PubChem CID 52949641 Functional Category Bioactive
Molecule Name AGN-PC-09M9NG
IUPAC Name 3-benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[2,3]pyrimido[2,3-b]pyridazine-4-thione
Synonyms CHEBI:814087;3-benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[2,3]pyrimido[2,3-b]pyridazine-4-thione
InChi InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChiKey FGSNFBKSRRACHN-UHFFFAOYSA-N
Formula C27H20N6S Molecular Weight 460.55
Cross Link CHEMBL1278104
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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