CFam Chemical Families Database
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You are searching for "CFAMM00319667" 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 CFAMM00319667
Family CFFBM1119 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand SureCN8694602 family
Superfamily CFSID171 C-C chemokine receptor type 1 Ligand BX-471 Superfamily
Class CFCAD217 Class 217
External ID CHEMBL509834 External Source CHEMBL
PubChem CID 44590668 Functional Category Bioactive
Molecule Name AGN-PC-077SHY
IUPAC Name 1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[4-(3-methoxyphenyl)-1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]urea;dihydrochloride
Synonyms CHEBI:618350;1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[4-(3-methoxyphenyl)-1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]urea;dihydrochloride
InChi InChI=1S/C33H41F3N4O3.2ClH/c1-21(2)26-18-24(37)19-27(22(3)4)30(26)39-31(41)38-20-32(23-9-8-10-25(17-23)42-5)13-15-40(16-14-32)28-11-6-7-12-29(28)43-33(34,35)36;;/h6-12,17-19,21-22H,13-16,20,37H2,1-5H3,(H2,38,39,41);2*1H
InChiKey BHLVESCPAMPYDF-UHFFFAOYSA-N
Formula C33H43Cl2F3N4O3 Molecular Weight 671.62
Cross Link CHEMBL509834
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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