CFam Chemical Families Database
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You are searching for "CFAMM00296753" in compound.

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CFAM Mol ID CFAMM00296753
Family CFFID3726 Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B Inhibitor N-methyl,n-(propargyl),n-(pyrrol-2-ylmethyl)amine Family
Superfamily CFSID2555 Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B Inhibitor N-methyl,n-(propargyl),n-(pyrrol-2-ylmethyl)amine Superfamily
Class CFCAD713 Class 713
External ID CHEMBL43319 External Source CHEMBL
PubChem CID 146371 Functional Category Bioactive
Molecule Name Pyrextramine
IUPAC Name N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
Synonyms AC1L3T2T;CHEBI:165126;1,6-Hexanediamine, N,N''-(dithiodi-2,1-ethanediyl)bis(N'-(1H-pyrrol-2-ylmethyl)-;N,N''-(Dithio-2,1-ethanediyl)bis(N'-(pyrrol-2-ylmethyl)-1,6-hexanediamine);92588-09-5;N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
InChi InChI=1S/C26H48N6S2/c1(3-7-15-29-23-25-11-9-17-31-25)5-13-27-19-21-33-34-22-20-28-14-6-2-4-8-16-30-24-26-12-10-18-32-26/h9-12,17-18,27-32H,1-8,13-16,19-24H2
InChiKey SOBOYIJMKCWCMZ-UHFFFAOYSA-N
Formula C26H48N6S2 Molecular Weight 508.83
Cross Link CHEMBL43319
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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