CFam Chemical Families Database
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You are searching for "CFAMM00186313" in compound.

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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 CFAMM00186313
Family CFFID274 Interleukin-1 beta Inhibitor Diacerein Family
Superfamily CFSID224 Interleukin-1 beta and Indoleamine 2,3-dioxygenase 1 Binder Superfamily
Class CFCAD776 Class 776
External ID 19847141 External Source PubChem
PubChem CID 19847141 Functional Category Patent Compound
Molecule Name AGN-PC-02KXCL
IUPAC Name [4-(4-hexan-2-yloxycarbonylphenyl)phenyl] 4-decoxy-3-fluorobenzoate
Synonyms SureCN10523932;[4-(4-hexan-2-yloxycarbonylphenyl)phenyl] 4-decoxy-3-fluorobenzoate
InChi InChI=1S/C36H45FO5/c1-4-6-8-9-10-11-12-13-25-40-34-24-21-31(26-33(34)37)36(39)42-32-22-19-29(20-23-32)28-15-17-30(18-16-28)35(38)41-27(3)14-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3
InChiKey LZPKZBFIOIRPIF-UHFFFAOYSA-N
Formula C36H45FO5 Molecular Weight 576.74
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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