CFam Chemical Families Database
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You are searching for "CFAMM00340690" 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 CFAMM00340690
Family CFFBM2994 Sodium-dependent serotonin transporter and 5-hydroxytryptamine receptor 1A ligand AGN-PC-075LI1 family
Superfamily CFSBM1685 Beta-lactamase TEM and 5-hydroxytryptamine receptor 1A Binder Superfamily
Class CFCBM80 Class 3130
External ID CHEMBL131691 External Source CHEMBL
PubChem CID 44354158 Functional Category Bioactive
Molecule Name AGN-PC-075LI1
IUPAC Name 1-(1-benzothiophen-3-yl)-3-[4-(1,2-dihydroquinolin-2-yl)piperazin-1-yl]propan-1-ol
Synonyms CHEBI:319337;1-(1-benzothiophen-3-yl)-3-[4-(1,2-dihydroquinolin-2-yl)piperazin-1-yl]propan-1-ol
InChi InChI=1S/C24H27N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,24-25,28H,11-16H2
InChiKey OJOWITMTCTZCJP-UHFFFAOYSA-N
Formula C24H27N3OS Molecular Weight 405.56
Cross Link CHEMBL131691
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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