CFam Chemical Families Database
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You are searching for "CFAMM00303833" in compound.

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CFAM Mol ID CFAMM00303833
Family CFFID4181 Histamine H1 receptor and Arachidonate 5-lipoxygenase Ligand N-hydroxycarbamate Derivative Family
Superfamily CFSID2823 Histamine H1 receptor and Arachidonate 5-lipoxygenase Ligand N-hydroxycarbamate Derivative Superfamily
Class CFCCD24 Class 837
External ID CHEMBL360666 External Source CHEMBL
PubChem CID 44389302 Functional Category Bioactive
Molecule Name benzyl N-[4-[4-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]butoxy]phenyl]but-3-ynyl]-N-hydroxycarbamate
IUPAC Name benzyl N-[4-[4-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]butoxy]phenyl]but-3-ynyl]-N-hydroxycarbamate
Synonyms AGN-PC-075C49;CHEBI:400606;DNC004874;benzyl N-[4-[4-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]butoxy]phenyl]but-3-ynyl]-N-hydroxycarbamate
InChi InChI=1S/C39H41F2N3O4/c40-35-17-13-33(14-18-35)38(34-15-19-36(41)20-16-34)43-27-25-42(26-28-43)23-6-7-29-47-37-21-11-31(12-22-37)8-4-5-24-44(46)39(45)48-30-32-9-2-1-3-10-32/h1-3,9-22,38,46H,5-7,23-30H2
InChiKey LDPRUJUFFYEDJC-UHFFFAOYSA-N
Formula C39H41F2N3O4 Molecular Weight 653.76
Cross Link CHEMBL360666
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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