CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00036306" 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 CFAMM00036306
Family CFFAD201 Benzodiazepine receptor Ligand Alprazolam Family
Superfamily CFSAD187 Benzodiazepine receptor Ligand Alprazolam Superfamily
Class CFCAD180 Class 180
External ID 15573101 External Source PubChem
PubChem CID 15573101 Functional Category Patent Compound
Molecule Name AGN-PC-00PQ5M
IUPAC Name 4-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyldisulfanyl]morpholine
Synonyms 4-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyldisulfanyl]morpholine
InChi InChI=1S/C21H19Cl2N5OS2/c22-14-5-6-18-16(11-14)21(15-3-1-2-4-17(15)23)24-12-19-25-26-20(28(18)19)13-30-31-27-7-9-29-10-8-27/h1-6,11H,7-10,12-13H2
InChiKey RBZQGBWMQKIRRV-UHFFFAOYSA-N
Formula C21H19Cl2N5OS2 Molecular Weight 492.44
Cross Link
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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