CFam Chemical Families Database
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You are searching for "CFAMM00036687" 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 CFAMM00036687
Family CFFAD206 Beta-2 adrenergic receptor ligand catecholamine Salbutamol Family
Superfamily CFSAD62 adrenergic receptor ligand catecholamine Superfamily
Class CFCAD62 Class 62
External ID CHEMBL211696 External Source CHEMBL
PubChem CID 44415202 Functional Category Bioactive
Molecule Name 4-[(2S)-2-amino-3-[[(2R)-1-(4-hydroxyphenyl)-3-[methyl-[(2S)-1-(methylamino)-3-phenylpropan-2-yl]amino]propan-2-yl]-methylamino]propyl]phenol
IUPAC Name 4-[(2S)-2-amino-3-[[(2R)-1-(4-hydroxyphenyl)-3-[methyl-[(2S)-1-(methylamino)-3-phenylpropan-2-yl]amino]propan-2-yl]-methylamino]propyl]phenol
Synonyms CHEBI:456424
InChi InChI=1S/C30H42N4O2/c1-32-20-27(18-23-7-5-4-6-8-23)34(3)22-28(19-25-11-15-30(36)16-12-25)33(2)21-26(31)17-24-9-13-29(35)14-10-24/h4-16,26-28,32,35-36H,17-22,31H2,1-3H3/t26-,27-,28+/m0/s1
InChiKey YFVWOMKVZLGFTF-HZFUHODCSA-N
Formula C30H42N4O2 Molecular Weight 490.68
Cross Link CHEMBL211696
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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