CFam Chemical Families Database
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You are searching for "CFAMM00410308" 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 CFAMM00410308
Family CFFBM11541 Alpha-1A adrenergic receptor and D(2) dopamine receptor ligand AGN-PC-00HLDC family
Superfamily CFSBM5516 Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor Binder Superfamily 2
Class CFCBM1803 Class 4853
External ID CHEMBL228390 External Source CHEMBL
PubChem CID 11857791 Functional Category Bioactive
Molecule Name AGN-PC-00HLH2
IUPAC Name N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Synonyms SureCN5110677;SureCN13999208;CHEMBL439197;CHEBI:485104;CHEBI:485105;N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
InChi InChI=1S/C27H33F3N2O5S/c28-27(29,30)18-37-24-4-2-1-3-23(24)19-11-13-32(14-12-19)21-7-5-20(6-8-21)31-38(33,34)22-9-10-25-26(17-22)36-16-15-35-25/h1-4,9-10,17,19-21,31H,5-8,11-16,18H2/t20-,21-
InChiKey PPAIEDLGYFCKEB-MEMLXQNLSA-N
Formula C27H33F3N2O5S Molecular Weight 554.62
Cross Link CHEMBL228390
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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