CFam Chemical Families Database
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You are searching for "CFAMM00594801" in compound.

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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 CFAMM00594801
Family CFFPA4045 Putative New Pharmaceutically Active Compounds In Patent WO0071537 Family
Superfamily CFSCD482 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform and Serine/threonine-protein kinase mTOR Inhibitor BEZ235 Superfamily
Class CFCAD147 Class 147
External ID 18385136 External Source PubChem
PubChem CID 18385136 Functional Category Patent Compound
Molecule Name AGN-PC-01VBQA
IUPAC Name 4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one
Synonyms SureCN6588231;4-[1-(3-aminopropyl)-5-fluoroindol-3-yl]-3-(1-methylindol-3-yl)-1H-1,2,4-triazol-5-one
InChi InChI=1S/C22H21FN6O/c1-27-12-17(15-5-2-3-6-18(15)27)21-25-26-22(30)29(21)20-13-28(10-4-9-24)19-8-7-14(23)11-16(19)20/h2-3,5-8,11-13H,4,9-10,24H2,1H3,(H,26,30)
InChiKey OBBPVDLZMSWLPB-UHFFFAOYSA-N
Formula C22H21FN6O Molecular Weight 404.44
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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