CFam Chemical Families Database
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You are searching for "CFAMM00186268" in compound.

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CFAM Mol ID CFAMM00186268
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 19022505 External Source PubChem
PubChem CID 19022505 Functional Category Patent Compound
Molecule Name AGN-PC-025IA8
IUPAC Name 4-[4-[5-[4-(3,4-dicarboxyphenoxy)-3,5-bis(trifluoromethyl)phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]-2,6-bis(trifluoromethyl)phenoxy]phthalic acid
Synonyms 4-[4-[5-[4-(3,4-dicarboxyphenoxy)-3,5-bis(trifluoromethyl)phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]-2,6-bis(trifluoromethyl)phenoxy]phthalic acid
InChi InChI=1S/C37H14F22O10/c38-29(39,11-5-19(31(42,43)44)23(20(6-11)32(45,46)47)68-13-1-3-15(25(60)61)17(9-13)27(64)65)35(54,55)37(58,59)36(56,57)30(40,41)12-7-21(33(48,49)50)24(22(8-12)34(51,52)53)69-14-2-4-16(26(62)63)18(10-14)28(66)67/h1-10H,(H,60,61)(H,62,63)(H,64,65)(H,66,67)
InChiKey UFPRUFZZFZRBTK-UHFFFAOYSA-N
Formula C37H14F22O10 Molecular Weight 1036.47
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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