CFam Chemical Families Database
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You are searching for "CFAMM00133820" 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 CFAMM00133820
Family CFFCD98 Leukotriene B4 receptor 1 Ligand Ltb 019 Family
Superfamily CFSCD92 Leukotriene B4 receptor 1 Ligand Ltb 019 Superfamily
Class CFCCD80 Class 893
External ID CHEMBL85136 External Source CHEMBL
PubChem CID 6442224 Functional Category Bioactive
Molecule Name ONO-3403
IUPAC Name (4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate;methanesulfonic acid
Synonyms AC1O5WT5;ONO3403;CHEBI:235553;(4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate; methanesulfonic acid;181586-07-2;Benzoic acid, 4-((1E)-3-((2-ethoxy-2-oxoethyl)-2-propenylamino)-2-methyl-3-oxo-1-propenyl)-, 4-(aminoiminomethyl)phenyl ester, monomethanesulfonate;Benzoic acid, 4-(3-((2-ethoxy-2-oxoethyl)-2-propenylamino)-2-methyl-3-oxo-1-propenyl)-, 4-(aminoiminomethyl)phenyl ester, (E)-, monomethanesulfonate
InChi InChI=1S/C25H27N3O5.CH4O3S/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27;1-5(2,3)4/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27);1H3,(H,2,3,4)/b17-15+;
InChiKey PKBZGVVSSNNHGY-INTLEYBYSA-N
Formula C25H27N3O5.CH4O3S Molecular Weight 545.60
Cross Link CHEMBL85136
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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