CFam Chemical Families Database
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You are searching for "CFAMM00646307" 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 CFAMM00646307
Family CFFPA43260 Putative Patent EP1015444 Family
Superfamily CFSID1081 Adenosine receptor A1 and Adenosine receptor A3 Ligand 4-methoxy-n-(3-phenyl-isoquinolin-1-yl)-benzamide Superfamily
Class CFCID670 Class 2020
External ID 18315805 External Source PubChem
PubChem CID 18315805 Functional Category Patent Compound
Molecule Name SureCN6957582
IUPAC Name [2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl] 3-chlorobenzoate
Synonyms AGN-PC-01U825;[2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl] 3-chlorobenzoate
InChi InChI=1S/C29H26ClFN4O2/c1-17-18(2)32-29(33-24-9-7-23(31)8-10-24)34-27(17)35-14-13-20-16-25(11-12-26(20)19(35)3)37-28(36)21-5-4-6-22(30)15-21/h4-12,15-16,19H,13-14H2,1-3H3,(H,32,33,34)
InChiKey FGAZRMYWUPYJET-UHFFFAOYSA-N
Formula C29H26ClFN4O2 Molecular Weight 516.99
Cross Link
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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