CFam Chemical Families Database
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You are searching for "CFAMM00235941" 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 CFAMM00235941
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 CHEMBL213200 External Source CHEMBL
PubChem CID 44415742 Functional Category Bioactive
Molecule Name AGN-PC-0764QP
IUPAC Name 3-chloro-6-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine
Synonyms CHEBI:457504;3-chloro-6-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine
InChi InChI=1S/C24H21ClF2N4/c25-17-6-8-22-23(13-17)29-24(19-3-1-2-4-21(19)28-22)31-11-9-30(10-12-31)15-16-5-7-18(26)14-20(16)27/h1-8,13-14,28H,9-12,15H2
InChiKey IOUMPQDJIZFQOW-UHFFFAOYSA-N
Formula C24H21ClF2N4 Molecular Weight 438.90
Cross Link CHEMBL213200
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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