CFam Chemical Families Database
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You are searching for "CFAMM00188341" in compound.

Total 1 results found.

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 CFAMM00188341
Family CFFID346 Choline kinase alpha Inhibitor Hemicholinium-3 Family
Superfamily CFSAD89 Biogenic amine receptor ligand Terfenadine Trihexyphenidyl Superfamily
Class CFCAD89 Class 89
External ID CHEMBL1628634 External Source CHEMBL
PubChem CID 53324642 Functional Category Bioactive
Molecule Name [3H]HC-3
IUPAC Name 2-[4-[4-[2-hydroxy-4-methyl-4-(tritritiomethyl)morpholin-4-ium-2-yl]phenyl]phenyl]-4-methyl-4-(tritritiomethyl)morpholin-4-ium-2-ol
Synonyms
InChi InChI=1S/C24H34N2O4/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/q+2/i1T3,3T3
InChiKey JIWUESGGKYLPPG-KNRLLZGOSA-N
Formula C24H28N2O4T6 Molecular Weight 426.49
Cross Link CHEMBL1628634
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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