CFam Chemical Families Database
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You are searching for "CFAMM00036160" 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 CFAMM00036160
Family CFFAD197 Alpha-2 adrenergic receptor Ligand Dexmedetomidine Family
Superfamily CFSAD183 Alpha-2 adrenergic receptor Ligand Dexmedetomidine Superfamily
Class CFCAD177 Class 177
External ID 18422815 External Source PubChem
PubChem CID 18422815 Functional Category Patent Compound
Molecule Name AGN-PC-01VSYT
IUPAC Name 2-(3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)-N,N-dimethylethanamine
Synonyms 2-(3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)-N,N-dimethylethanamine
InChi InChI=1S/C24H31N5O2S/c1-27(2)17-24(22-14-25-18-26-22)28-16-21(13-19-9-5-4-6-10-19)29(32(3,30)31)15-20-11-7-8-12-23(20)28/h4-12,14,18,21,24H,13,15-17H2,1-3H3,(H,25,26)
InChiKey GCBHMKDDYJXJME-UHFFFAOYSA-N
Formula C24H31N5O2S Molecular Weight 453.60
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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