CFam Chemical Families Database
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You are searching for "CFAMM00414315" 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 CFAMM00414315
Family CFFBM12190 P2X purinoceptor 7 inhibitor SureCN108625 family
Superfamily CFSBM1031 P2X purinoceptor 7 and Beta-lactamase Binder Superfamily
Class CFCAD4 Class 4
External ID CHEMBL2218119 External Source CHEMBL
PubChem CID 66599260 Functional Category Bioactive
Molecule Name SureCN109073
IUPAC Name [2-chloro-3-(trifluoromethyl)phenyl]-[3-(1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Synonyms
InChi InChI=1S/C16H11ClF3N5OS/c17-13-9(2-1-3-10(13)16(18,19)20)15(26)24-4-5-25-12(6-24)22-23-14(25)11-7-27-8-21-11/h1-3,7-8H,4-6H2
InChiKey BDKXTJZVSCTDFF-UHFFFAOYSA-N
Formula C16H11ClF3N5OS Molecular Weight 413.80
Cross Link CHEMBL2218119
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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