CFam Chemical Families Database
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You are searching for "CFAMM00048705" 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 CFAMM00048705
Family CFFAD309 Alpha adrenergic receptor Ligand Droperidol Family
Superfamily CFSAD265 Alpha adrenergic receptor Ligand Droperidol Superfamily
Class CFCAD252 Class 252
External ID CHEMBL337149 External Source CHEMBL
PubChem CID 15121351 Functional Category Bioactive
Molecule Name AGN-PC-003U7A
IUPAC Name 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms CHEBI:325439;8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
InChi InChI=1S/C31H34FN3O2/c32-27-15-13-26(14-16-27)29(36)12-7-20-33-22-18-31(19-23-33)30(37)34(21-17-25-8-3-1-4-9-25)24-35(31)28-10-5-2-6-11-28/h1-6,8-11,13-16H,7,12,17-24H2
InChiKey BBIKLYNFXVJLRQ-UHFFFAOYSA-N
Formula C31H34FN3O2 Molecular Weight 499.62
Cross Link CHEMBL337149
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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