CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00472075" 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 CFAMM00472075
Family CFFBM24851 Kinesin-like protein KIF11 inhibitor 9-(trifluoromethyl)-1,2,4,11-tetrahydropyrido[3,2-a]carbazol-3-one family
Superfamily CFSBM3991 Metabotropic glutamate receptor 2 and Kinesin-like protein KIF11 Binder Superfamily
Class CFCBM330 Class 3380
External ID CHEMBL346406 External Source CHEMBL
PubChem CID 5331107 Functional Category Bioactive
Molecule Name Paullone Analog 18
IUPAC Name 2-(3-hydroxyprop-1-ynyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
Synonyms AC1NSACV;SureCN12856465;2-(3-hydroxyprop-1-ynyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
InChi InChI=1S/C20H13F3N2O2/c21-20(22,23)12-4-6-16-13(9-12)14-10-18(27)24-17-5-3-11(2-1-7-26)8-15(17)19(14)25-16/h3-6,8-9,25-26H,7,10H2,(H,24,27)
InChiKey QNQUCAXGTRFYJH-UHFFFAOYSA-N
Formula C20H13F3N2O2 Molecular Weight 370.32
Cross Link CHEMBL346406
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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