CFam Chemical Families Database
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You are searching for "CFAMM00233466" in compound.

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CFAM Mol ID CFAMM00233466
Family CFFID1254 Glutamate receptor ionotropic, NMDA 2A and Glutamate receptor ionotropic, NMDA 2B Ligand N,n'-bis-(4-butyl-phenyl)-guanidine Family
Superfamily CFSID1007 Glutamate receptor ionotropic, NMDA 2A and Glutamate receptor ionotropic, NMDA 2B Ligand N,n'-bis-(4-butyl-phenyl)-guanidine Superfamily
Class CFCAD655 Class 655
External ID CHEMBL103284 External Source CHEMBL
PubChem CID 44334344 Functional Category Bioactive
Molecule Name AGN-PC-074UGB
IUPAC Name 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]guanidine;methanesulfonic acid
Synonyms CHEBI:269939;1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]guanidine;methanesulfonic acid
InChi InChI=1S/C22H31N3.CH4O3S/c1-6-16(2)18-9-13-20(14-10-18)25(21(23)24)15-17-7-11-19(12-8-17)22(3,4)5;1-5(2,3)4/h7-14,16H,6,15H2,1-5H3,(H3,23,24);1H3,(H,2,3,4)
InChiKey AQUOAGQPSXGTBG-UHFFFAOYSA-N
Formula C22H31N3.CH4O3S Molecular Weight 433.61
Cross Link CHEMBL103284
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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