CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00436787" 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 CFAMM00436787
Family CFFBM16048 Dihydrofolate reductase and Bifunctional dihydrofolate reductase-thymidylate synthase inhibitor AC1NRRAZ family
Superfamily CFSBM539 Dihydrofolate reductase and Bifunctional dihydrofolate reductase-thymidylate synthase Binder Superfamily 3
Class CFCCD395 Class 1208
External ID 54024693 External Source PubChem
PubChem CID 54024693 Functional Category Patent Compound
Molecule Name AGN-PC-0A1WAA
IUPAC Name (2-fluoro-4-octylphenyl) 4-(5-decylpyrimidin-2-yl)benzoate
Synonyms SureCN10548524;(2-fluoro-4-octylphenyl) 4-(5-decylpyrimidin-2-yl)benzoate
InChi InChI=1S/C35H47FN2O2/c1-3-5-7-9-11-12-14-16-18-29-26-37-34(38-27-29)30-20-22-31(23-21-30)35(39)40-33-24-19-28(25-32(33)36)17-15-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3
InChiKey LBIQHZWAFQEWCI-UHFFFAOYSA-N
Formula C35H47FN2O2 Molecular Weight 546.76
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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