CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00356387" 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 CFAMM00356387
Family CFFBM4470 Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ligand SureCN6198376 family
Superfamily CFSBM2617 Beta-lactamase and Alpha-1D adrenergic receptor Binder Superfamily
Class CFCID97 Class 1447
External ID CHEMBL142606 External Source CHEMBL
PubChem CID 10507411 Functional Category Bioactive
Molecule Name methyl 4-(3,4-difluorophenyl)-2,6-dimethyl-3-[5-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pentyl]-4H-pyrimidine-5-carboxylate
IUPAC Name methyl 4-(3,4-difluorophenyl)-2,6-dimethyl-3-[5-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pentyl]-4H-pyrimidine-5-carboxylate
Synonyms CHEBI:339700
InChi InChI=1S/C31H36F5N3O2/c1-20-28(30(40)41-3)29(23-11-12-26(32)27(33)19-23)39(21(2)37-20)16-8-4-7-15-38-17-13-22(14-18-38)24-9-5-6-10-25(24)31(34,35)36/h5-6,9-12,19,22,29H,4,7-8,13-18H2,1-3H3
InChiKey HXUMKMQRTFHLCC-UHFFFAOYSA-N
Formula C31H36F5N3O2 Molecular Weight 577.63
Cross Link CHEMBL142606
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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