CFam Chemical Families Database
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You are searching for "CFAMM00414686" in compound.

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CFAM Mol ID CFAMM00414686
Family CFFBM12261 Adenosine receptor A1 ligand ethyl 1-(2-chloro-2-phenylethyl)-4-[2-(4-methoxyphenyl)ethylamino]pyrazolo[3,4-b]pyridine-5-carboxylate family
Superfamily CFSID1082 Serine/threonine-protein kinase B-raf and cGMP-specific 3',5'-cyclic phosphodiesterase Binder Superfamily
Class CFCID737 Class 2087
External ID CHEMBL8410 External Source CHEMBL
PubChem CID 20709323 Functional Category Bioactive
Molecule Name SureCN7958726
IUPAC Name 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
Synonyms CHEBI:103039
InChi InChI=1S/C22H26ClN5O3/c1-3-28-21-16(13-27-28)20(24-10-14-6-7-19(30-2)18(23)9-14)17(12-25-21)22(29)26-11-15-5-4-8-31-15/h6-7,9,12-13,15H,3-5,8,10-11H2,1-2H3,(H,24,25)(H,26,29)/t15-/m0/s1
InChiKey IIJWWYFKEQWSRO-HNNXBMFYSA-N
Formula C22H26ClN5O3 Molecular Weight 443.93
Cross Link CHEMBL8410
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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