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

48692 visits since 2014 .........

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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