CFam Chemical Families Database
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You are searching for "CFAMM00312145" in compound.

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CFAM Mol ID CFAMM00312145
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 CHEMBL1170803 External Source CHEMBL
PubChem CID 49797988 Functional Category Bioactive
Molecule Name AGN-PC-0885XX
IUPAC Name [9-(7-fluoroquinazolin-2-yl)-4,9-diazabicyclo[4.2.1]nonan-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Synonyms CHEBI:747878;[9-(7-fluoroquinazolin-2-yl)-4,9-diazabicyclo[4.2.1]nonan-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
InChi InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)31-11-8-19-5-6-20(15-31)32(19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3
InChiKey LYSXRGSKWCNKHT-UHFFFAOYSA-N
Formula C25H24FN7O Molecular Weight 457.50
Cross Link CHEMBL1170803
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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