CFam Chemical Families Database
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You are searching for "CFAMM00436788" 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 CFAMM00436788
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 53718111 External Source PubChem
PubChem CID 53718111 Functional Category Patent Compound
Molecule Name AGN-PC-09XVTQ
IUPAC Name [4-(2,2-dicyanoethenyl)phenyl] 4-(5-pentylpyrimidin-2-yl)benzoate
Synonyms [4-(2,2-dicyanoethenyl)phenyl] 4-(5-pentylpyrimidin-2-yl)benzoate
InChi InChI=1S/C26H22N4O2/c1-2-3-4-5-20-17-29-25(30-18-20)22-8-10-23(11-9-22)26(31)32-24-12-6-19(7-13-24)14-21(15-27)16-28/h6-14,17-18H,2-5H2,1H3
InChiKey CFIBIHRXNSFVAW-UHFFFAOYSA-N
Formula C26H22N4O2 Molecular Weight 422.48
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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