CFam Chemical Families Database
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You are searching for "CFAMM00312149" in compound.

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CFAM Mol ID CFAMM00312149
Family CFFBM492 Orexin receptor type 2 and Orexin receptor type 1 ligand [(7R)-7-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone family
Superfamily CFSBM298 P2X purinoceptor 7 and Orexin receptor type 2 Binder Superfamily
Class CFCAD96 Class 96
External ID CHEMBL2413512 External Source CHEMBL
PubChem CID 52918933 Functional Category Bioactive
Molecule Name [(1S,6R)-7-(4,6-dimethylpyrimidin-2-yl)-4,7-diazabicyclo[4.2.0]octan-4-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
IUPAC Name [(1S,6R)-7-(4,6-dimethylpyrimidin-2-yl)-4,7-diazabicyclo[4.2.0]octan-4-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
Synonyms SureCN11900340
InChi InChI=1S/C21H22FN7O/c1-13-9-14(2)26-21(25-13)28-11-15-5-8-27(12-19(15)28)20(30)17-10-16(22)3-4-18(17)29-23-6-7-24-29/h3-4,6-7,9-10,15,19H,5,8,11-12H2,1-2H3/t15-,19-/m0/s1
InChiKey AIJWSTPDSILCOZ-KXBFYZLASA-N
Formula C21H22FN7O Molecular Weight 407.44
Cross Link CHEMBL2413512
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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