CFam Chemical Families Database
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You are searching for "CFAMM00437774" in compound.

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CFAM Mol ID CFAMM00437774
Family CFFBM16329 Beta-3 adrenergic receptor ligand 2-[(5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]-1,1-dimethylguanidine family
Superfamily CFSBM6696 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor Binder Superfamily 4
Class CFCCD406 Class 1219
External ID CHEMBL174534 External Source CHEMBL
PubChem CID 44386051 Functional Category Bioactive
Molecule Name 2-[(5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]piperidin-1-yl]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]-1,1-dimethylguanidine
IUPAC Name 2-[(5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]piperidin-1-yl]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]-1,1-dimethylguanidine
Synonyms CHEBI:393149
InChi InChI=1S/C27H34N6O3S/c1-32(2)26(28)31-27-30-25(35)24(37-27)16-19-8-10-21(11-9-19)33-14-12-20(13-15-33)29-17-22(34)18-36-23-6-4-3-5-7-23/h3-11,16,20,22,29,34H,12-15,17-18H2,1-2H3,(H2,28,30,31,35)/b24-16-/t22-/m0/s1
InChiKey UUTHENLTOKIXHL-ZKFYFQMZSA-N
Formula C27H34N6O3S Molecular Weight 522.66
Cross Link CHEMBL174534
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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