CFam Chemical Families Database
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You are searching for "CFAMM00011063" in compound.

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CFAM Mol ID CFAMM00011063
Family CFFAD60 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan family
Superfamily CFSAD59 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan Superfamily
Class CFCAD59 Class 59
External ID ZINC12661364 External Source ZINC
PubChem CID 5938158 Functional Category Natural Product
Molecule Name (E)-N-(3-((2-(1H-indol-3-yl)ethyl)amino)-1-(1-methyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl)benzamide
IUPAC Name N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
Synonyms STOCK1N-32581;MolPort-001-590-438;ZINC12661364;AKOS003597868;N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
InChi InChI=1S/C29H26N4O2/c1-33-19-22(24-12-6-8-14-27(24)33)17-26(32-28(34)20-9-3-2-4-10-20)29(35)30-16-15-21-18-31-25-13-7-5-11-23(21)25/h2-14,17-19,31H,15-16H2,1H3,(H,30,35)(H,32,34)/b26-17+
InChiKey XOTWCCUIMIWUTI-YZSQISJMSA-N
Formula C29H26N4O2 Molecular Weight 462.54
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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