CFam Chemical Families Database
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You are searching for "CFAMM00333085" 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 CFAMM00333085
Family CFFBM2353 Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ligand AGN-PC-087U9C family
Superfamily CFSBM1309 Integrin beta-2 and Alpha-1A adrenergic receptor Binder Superfamily
Class CFCBM139 Class 3189
External ID CHEMBL1259006 External Source CHEMBL
PubChem CID 49781449 Functional Category Bioactive
Molecule Name AGN-PC-087U9B
IUPAC Name 1-methyl-4-(3-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Synonyms CHEBI:808022;1-methyl-4-(3-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
InChi InChI=1S/C24H25N3S/c1-26-12-14-27(15-13-26)22-17-19-6-2-3-8-23(19)28-24-10-9-18(16-20(22)24)21-7-4-5-11-25-21/h2-11,16,22H,12-15,17H2,1H3
InChiKey QIEFWSCBWYBVOT-UHFFFAOYSA-N
Formula C24H25N3S Molecular Weight 387.54
Cross Link CHEMBL1259006
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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