CFam Chemical Families Database
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You are searching for "CFAMM00364879" 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 CFAMM00364879
Family CFFBM5610 Metabotropic glutamate receptor 1 and Metabotropic glutamate receptor 5 ligand AGN-PC-077R1S family
Superfamily CFSBM3262 Metabotropic glutamate receptor 5 and Metabotropic glutamate receptor 1 Binder Superfamily
Class CFCBM1241 Class 4291
External ID CHEMBL456823 External Source CHEMBL
PubChem CID 44588464 Functional Category Bioactive
Molecule Name AGN-PC-077R1T
IUPAC Name tert-butyl 4-[1-(3-fluoropyridin-2-yl)-5-methyltriazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Synonyms CHEBI:613563;tert-butyl 4-[1-(3-fluoropyridin-2-yl)-5-methyltriazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
InChi InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3
InChiKey INXYUZGZBZNQGF-UHFFFAOYSA-N
Formula C18H22FN5O2 Molecular Weight 359.40
Cross Link CHEMBL456823
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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