CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00235953" 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 CFAMM00235953
Family CFFID1333 5-hydroxytryptamine receptor 2A and Alpha-1A adrenergic receptor Ligand Isoclozapine Family
Superfamily CFSID1065 5-hydroxytryptamine receptor 2A and Alpha-1A adrenergic receptor Ligand Isoclozapine Superfamily
Class CFCID677 Class 2027
External ID CHEMBL266723 External Source CHEMBL
PubChem CID 11724853 Functional Category Bioactive
Molecule Name AGN-PC-00EVMS
IUPAC Name 3-chloro-11-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine
Synonyms SureCN8203039;CHEBI:102488;3-chloro-11-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine
InChi InChI=1S/C19H21ClN4/c1-22-9-11-24(12-10-22)19-15-5-3-4-6-17(15)23(2)18-8-7-14(20)13-16(18)21-19/h3-8,13H,9-12H2,1-2H3
InChiKey XQIPQCHREHNRDI-UHFFFAOYSA-N
Formula C19H21ClN4 Molecular Weight 340.85
Cross Link CHEMBL266723
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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