CFam Chemical Families Database
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You are searching for "CFAMM00439333" in compound.

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CFAM Mol ID CFAMM00439333
Family CFFBM16778 Sigma non-opioid intracellular receptor 1 ligand 2-[4-(4-cyclohexylpiperazin-1-yl)butylsulfanyl]-1,3-benzoxazole family
Superfamily CFSBM1720 Thyrotropin receptor and Huntingtin Binder Superfamily
Class CFCCD181 Class 994
External ID CHEMBL479027 External Source CHEMBL
PubChem CID 24949389 Functional Category Bioactive
Molecule Name AGN-PC-04UH89
IUPAC Name 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-1,3-benzoxazole
Synonyms CHEBI:589724;2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylsulfanyl]-1,3-benzoxazole
InChi InChI=1S/C18H21N5OS/c1-2-6-16-15(5-1)21-18(24-16)25-14-4-9-22-10-12-23(13-11-22)17-19-7-3-8-20-17/h1-3,5-8H,4,9-14H2
InChiKey WLFKWCNGQZKHGG-UHFFFAOYSA-N
Formula C18H21N5OS Molecular Weight 355.46
Cross Link CHEMBL479027
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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