CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00183826" 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 CFAMM00183826
Family CFFID190 DNA Binder Bisbenzimide (hoechst 33258) Family
Superfamily CFSID154 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily
Class CFCID106 Class 1456
External ID 22255444 External Source PubChem
PubChem CID 22255444 Functional Category Patent Compound
Molecule Name AGN-PC-03MWB9
IUPAC Name 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine
Synonyms SureCN5771552;4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine
InChi InChI=1S/C25H22FN5O3/c1-15-13-33-24(34-14-15)23-30-21(16-6-8-17(26)9-7-16)22(31-23)20-10-11-27-25(29-20)28-18-4-3-5-19(12-18)32-2/h3-12,24H,1,13-14H2,2H3,(H,30,31)(H,27,28,29)
InChiKey KMBXYZPONKCPRZ-UHFFFAOYSA-N
Formula C25H22FN5O3 Molecular Weight 459.47
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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