CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00036730" in compound.

Total 1 results found.

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 CFAMM00036730
Family CFFAD206 Beta-2 adrenergic receptor ligand catecholamine Salbutamol Family
Superfamily CFSAD62 adrenergic receptor ligand catecholamine Superfamily
Class CFCAD62 Class 62
External ID DNC001225 External Source TTD
PubChem CID 6604887 Functional Category Investigative Drug
Molecule Name RO-25-6981
IUPAC Name 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
Synonyms 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;QEM;Tocris-1594;AC1O7H0A;SureCN6159263;Lopac0_001082;CHEMBL305195;CHEBI:208846;HMS3268G13;DNC001225
InChi InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
InChiKey WVZSEUPGUDIELE-HTAPYJJXSA-N
Formula C22H29NO2 Molecular Weight 339.47
Cross Link CHEMBL305195
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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