CFam Chemical Families Database
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You are searching for "CFAMM00224636" 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 CFAMM00224636
Family CFFID1002 Hemoglobin subunit alpha Inhibitor 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine Family
Superfamily CFSID76 Reverse transcriptase and Hemoglobin subunit alpha Binder Superfamily
Class CFCCD189 Class 1002
External ID CHEMBL2441681 External Source CHEMBL
PubChem CID 72375210 Functional Category Bioactive
Molecule Name 7-[4-[2-methoxy-5-(trifluoromethyl)pyridin-1-ium-1-yl]butoxy]-4-methylchromen-2-one;trifluoromethanesulfonate
IUPAC Name 7-[4-[2-methoxy-5-(trifluoromethyl)pyridin-1-ium-1-yl]butoxy]-4-methylchromen-2-one;trifluoromethanesulfonate
Synonyms
InChi InChI=1S/C21H21F3NO4.CHF3O3S/c1-14-11-20(26)29-18-12-16(6-7-17(14)18)28-10-4-3-9-25-13-15(21(22,23)24)5-8-19(25)27-2;2-1(3,4)8(5,6)7/h5-8,11-13H,3-4,9-10H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChiKey FIRPLAXRQZWEEH-UHFFFAOYSA-M
Formula C22H21F6NO7S Molecular Weight 557.46
Cross Link CHEMBL2441681
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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