CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00157254" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00157254
Family CFFCD421 Substance-P receptor Ligand Ezlopitant Family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID CHEMBL1202787 External Source CHEMBL
PubChem CID 49860426 Functional Category Bioactive
Molecule Name AGN-PC-088UG3
IUPAC Name N'-[6-[amino-[(2-methoxyphenyl)methyl]amino]hexyl]-N-[6-[(2-methoxyphenyl)methylamino]hexyl]heptane-1,7-diamine;tetrahydrochloride
Synonyms N'-[6-[amino-[(2-methoxyphenyl)methyl]amino]hexyl]-N-[6-[(2-methoxyphenyl)methylamino]hexyl]heptane-1,7-diamine;tetrahydrochloride
InChi InChI=1S/C35H61N5O2.4ClH/c1-41-34-22-12-10-20-32(34)30-39-28-18-7-6-16-26-37-24-14-4-3-5-15-25-38-27-17-8-9-19-29-40(36)31-33-21-11-13-23-35(33)42-2;;;;/h10-13,20-23,37-39H,3-9,14-19,24-31,36H2,1-2H3;4*1H
InChiKey NILYWKKWJGDZMB-UHFFFAOYSA-N
Formula C35H65Cl4N5O2 Molecular Weight 729.73
Cross Link CHEMBL1202787
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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