CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00244054" 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 CFAMM00244054
Family CFFID1582 Alpha-1A adrenergic receptor Ligand Naftopidil Family
Superfamily CFSID1234 Alpha-1A adrenergic receptor Ligand Naftopidil Superfamily
Class CFCCD258 Class 1071
External ID CHEMBL101997 External Source CHEMBL
PubChem CID 10026593 Functional Category Bioactive
Molecule Name 2-(4-fluorophenyl)-1-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
IUPAC Name 2-(4-fluorophenyl)-1-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
Synonyms tetrahydroisoquinoline derivative, 19c
InChi InChI=1S/C28H31FN2O2/c1-28(22-4-11-26(12-5-22)33-19-18-30-15-2-3-16-30)27-13-10-25(32)20-21(27)14-17-31(28)24-8-6-23(29)7-9-24/h4-13,20,32H,2-3,14-19H2,1H3
InChiKey XAAZIBLMLWLEJF-UHFFFAOYSA-N
Formula C28H31FN2O2 Molecular Weight 446.56
Cross Link CHEMBL101997
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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