CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00188339" 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 CFAMM00188339
Family CFFID346 Choline kinase alpha Inhibitor Hemicholinium-3 Family
Superfamily CFSAD89 Biogenic amine receptor ligand Terfenadine Trihexyphenidyl Superfamily
Class CFCAD89 Class 89
External ID DNC000726 External Source TTD
PubChem CID 9399 Functional Category Investigative Drug
Molecule Name Hemicholinium-3
IUPAC Name 2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide
Synonyms Hemicholinium bromide;Hemicholine;HEMICHOLINIUM 3;Hemicholinium dibromide;Hemicholinium-3 bromide;Hemicholinium 3 dibromide;Hemicholinium-3 dibromide;312-45-8;EINECS 206-227-3;HC-3
InChi InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
InChiKey OPYKHUMNFAMIBL-UHFFFAOYSA-L
Formula C24H34Br2N2O4 Molecular Weight 574.35
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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