CFam Chemical Families Database
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You are searching for "CFAMM00435867" in compound.

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CFAM Mol ID CFAMM00435867
Family CFFBM15759 Beta-3 adrenergic receptor ligand (2S)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide family
Superfamily CFSID1770 Beta-3 adrenergic receptor Ligand BMS-196085 Superfamily
Class CFCCD67 Class 880
External ID CHEMBL332632 External Source CHEMBL
PubChem CID 44344819 Functional Category Bioactive
Molecule Name (2S)-N-(3,4-dimethoxyphenyl)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide
IUPAC Name (2S)-N-(3,4-dimethoxyphenyl)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanamide
Synonyms CHEBI:294375
InChi InChI=1S/C27H33N3O8S/c1-27(18-7-10-20(36-2)11-8-18,26(33)29-19-9-13-24(37-3)25(15-19)38-4)28-16-23(32)17-6-12-22(31)21(14-17)30-39(5,34)35/h6-15,23,28,30-32H,16H2,1-5H3,(H,29,33)/t23-,27-/m0/s1
InChiKey XWWMEJFJAGHZHR-HOFKKMOUSA-N
Formula C27H33N3O8S Molecular Weight 559.63
Cross Link CHEMBL332632
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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