CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00046095" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00046095
Family CFFAD278 Histamine H2 receptor Ligand Ranitidine Family
Superfamily CFSAD245 Histamine H2 receptor Ligand Ranitidine Superfamily
Class CFCAD235 Class 235
External ID 57272849 External Source PubChem
PubChem CID 57272849 Functional Category Patent Compound
Molecule Name AGN-PC-0BQRTI
IUPAC Name 4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]-2-methylimino-1-nitrobutan-1-amine
Synonyms 4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]-2-methylimino-1-nitrobutan-1-amine
InChi InChI=1S/C13H22N4O3S/c1-15-12(13(14)17(18)19)6-7-21-9-11-5-4-10(20-11)8-16(2)3/h4-5,13H,6-9,14H2,1-3H3
InChiKey NSOLEAPGKNWWKI-UHFFFAOYSA-N
Formula C13H22N4O3S Molecular Weight 314.40
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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