CFam Chemical Families Database
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You are searching for "CFAMM00244131" in compound.

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CFAM Mol ID CFAMM00244131
Family CFFID1582 Alpha-1A adrenergic receptor Ligand Naftopidil Family
Superfamily CFSID1234 Alpha-1A adrenergic receptor Ligand Naftopidil Superfamily
Class CFCCD258 Class 1071
External ID CHEMBL11380 External Source CHEMBL
PubChem CID 18986859 Functional Category Bioactive
Molecule Name SureCN9077097
IUPAC Name 1-[3-[5-chloro-2-(2-phenylethoxy)phenyl]propyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
Synonyms AGN-PC-024Z1H;CHEBI:109068;1-[3-[5-chloro-2-(2-phenylethoxy)phenyl]propyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
InChi InChI=1S/C28H33ClN2O2.C2H2O4/c1-32-28-12-6-5-11-26(28)31-19-17-30(18-20-31)16-7-10-24-22-25(29)13-14-27(24)33-21-15-23-8-3-2-4-9-23;3-1(4)2(5)6/h2-6,8-9,11-14,22H,7,10,15-21H2,1H3;(H,3,4)(H,5,6)
InChiKey FYBRGRIVSJSKEF-UHFFFAOYSA-N
Formula C28H33ClN2O2.C2H2O4 Molecular Weight 555.06
Cross Link CHEMBL11380
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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