CFam Chemical Families Database
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You are searching for "CFAMM00312012" in compound.

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CFAM Mol ID CFAMM00312012
Family CFFBM479 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor ligand SureCN6074003 family
Superfamily CFSBM62 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor Binder Superfamily
Class CFCCD67 Class 880
External ID CHEMBL99219 External Source CHEMBL
PubChem CID 44331302 Functional Category Bioactive
Molecule Name 1-[(2,5-difluorophenyl)methyl]-3-[4-[4-[[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
IUPAC Name 1-[(2,5-difluorophenyl)methyl]-3-[4-[4-[[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
Synonyms CHEBI:263777
InChi InChI=1S/C29H35F2N5O7S2/c1-44(40,41)35-26-15-20(2-9-27(26)37)28(38)18-32-16-19-10-12-36(13-11-19)45(42,43)24-6-4-23(5-7-24)34-29(39)33-17-21-14-22(30)3-8-25(21)31/h2-9,14-15,19,28,32,35,37-38H,10-13,16-18H2,1H3,(H2,33,34,39)/t28-/m0/s1
InChiKey DUPYGVGICIIQTC-NDEPHWFRSA-N
Formula C29H35F2N5O7S2 Molecular Weight 667.74
Cross Link CHEMBL99219
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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