CFam Chemical Families Database
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You are searching for "CFAMM00382394" 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 CFAMM00382394
Family CFFBM7699 Gonadotropin-releasing hormone receptor ligand SureCN5756131 family
Superfamily CFSBM4257 Translocator protein and Gonadotropin-releasing hormone receptor Binder Superfamily
Class CFCID1067 Class 2417
External ID CHEMBL179023 External Source CHEMBL
PubChem CID 44387908 Functional Category Bioactive
Molecule Name AGN-PC-075BBY
IUPAC Name 1-(3-amino-3-thiophen-2-ylpropyl)-3-[(2,6-difluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
Synonyms CHEBI:397542;1-(3-amino-3-thiophen-2-ylpropyl)-3-[(2,6-difluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
InChi InChI=1S/C24H22F2N4O4S/c1-34-16-6-2-5-15(13-16)30-23(32)28(11-10-20(27)21-9-4-12-35-21)22(31)29(24(30)33)14-17-18(25)7-3-8-19(17)26/h2-9,12-13,20H,10-11,14,27H2,1H3
InChiKey PCPCJYQXCOEAMN-UHFFFAOYSA-N
Formula C24H22F2N4O4S Molecular Weight 500.52
Cross Link CHEMBL179023
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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