CFam Chemical Families Database
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You are searching for "CFAMM00489811" 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 CFAMM00489811
Family CFFBM29684 D(2) dopamine receptor and Muscarinic acetylcholine receptor M1 ligand AGN-PC-00KIE1 family
Superfamily CFSBM11138 D(2) dopamine receptor and Muscarinic acetylcholine receptor M1 Binder Superfamily
Class CFCBM2324 Class 5374
External ID CHEMBL308071 External Source CHEMBL
PubChem CID 13022848 Functional Category Bioactive
Molecule Name AGN-PC-00KIE2
IUPAC Name 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-3H-triazolo[4,5-b][1,5]benzodiazepine
Synonyms SureCN11004184;CHEBI:223544;7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-3H-triazolo[4,5-b][1,5]benzodiazepine
InChi InChI=1S/C15H18FN7/c1-21-5-7-23(8-6-21)15-13-14(20-22(2)19-13)17-11-4-3-10(16)9-12(11)18-15/h3-4,9H,5-8H2,1-2H3,(H,17,20)
InChiKey PHMRBSUBYLCOFX-UHFFFAOYSA-N
Formula C15H18FN7 Molecular Weight 315.35
Cross Link CHEMBL308071
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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