CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00378472" 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 CFAMM00378472
Family CFFBM7249 Substance-K receptor and Cytochrome P450 2D6 ligand 158848-32-9 family
Superfamily CFSBM554 5-hydroxytryptamine receptor 6 and Cannabinoid receptor 2 Binder Superfamily
Class CFCBM214 Class 3264
External ID 17796682 External Source PubChem
PubChem CID 17796682 Functional Category Patent Compound
Molecule Name AGN-PC-01MCFJ
IUPAC Name 4-[5-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
Synonyms SureCN8111030;4-[5-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine
InChi InChI=1S/C26H23FN2S/c1-26(2)11-14-30-24-8-5-19(15-22(24)26)23-16-21(17-9-12-28-13-10-17)25(29-23)18-3-6-20(27)7-4-18/h3-10,12-13,15-16,29H,11,14H2,1-2H3
InChiKey KGUAMQFNLPYJNN-UHFFFAOYSA-N
Formula C26H23FN2S Molecular Weight 414.54
Cross Link
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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