CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00101399" 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 CFAMM00101399
Family CFFAD758 Muscarinic acetylcholine receptor M3 Ligand Diphemanil Methylsulfate Family
Superfamily CFSAD637 Muscarinic acetylcholine receptor M3 Ligand Diphemanil Methylsulfate Superfamily
Class CFCAD578 Class 578
External ID 12891464 External Source PubChem
PubChem CID 12891464 Functional Category Patent Compound
Molecule Name AGN-PC-00JYOA
IUPAC Name 1-[4,4-bis(4-fluorophenyl)butyl]-4-isothiocyanatopiperidine
Synonyms Piperidine, 1-[4,4-bis(4-fluorophenyl)butyl]-4-isothiocyanato-
InChi InChI=1S/C22H24F2N2S/c23-19-7-3-17(4-8-19)22(18-5-9-20(24)10-6-18)2-1-13-26-14-11-21(12-15-26)25-16-27/h3-10,21-22H,1-2,11-15H2
InChiKey ZULPVCCXTBFSFE-UHFFFAOYSA-N
Formula C22H24F2N2S Molecular Weight 386.50
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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