CFam Chemical Families Database
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You are searching for "CFAMM00452769" 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 CFAMM00452769
Family CFFBM19701 RAC-alpha serine/threonine-protein kinase and Cyclin-dependent kinase 2 inhibitor SureCN1519645 family
Superfamily CFSBM4675 Mu-type opioid receptor and Cyclin-dependent kinase 2 Binder Superfamily
Class CFCCD257 Class 1070
External ID CHEMBL205639 External Source CHEMBL
PubChem CID 23644887 Functional Category Bioactive
Molecule Name AGN-PC-046PIT
IUPAC Name 5-[3-(2-pyridin-4-ylethyl)pyridin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
Synonyms ((pyridin-4-yl)ethyl)pyridine 35;5-[3-(2-pyridin-4-ylethyl)pyridin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
InChi InChI=1S/C21H16F3N5O2/c22-21(23,24)31-17-3-1-2-16(12-17)27-20-29-28-19(30-20)18-8-11-26-13-15(18)5-4-14-6-9-25-10-7-14/h1-3,6-13H,4-5H2,(H,27,29)
InChiKey WJXBQYDWJOKVFV-UHFFFAOYSA-N
Formula C21H16F3N5O2 Molecular Weight 427.38
Cross Link CHEMBL205639
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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