CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00066999" 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 CFAMM00066999
Family CFFAD456 Cyclooxygenase Inhibitor Flurbiprofen Family
Superfamily CFSAD395 Cyclooxygenase Inhibitor Flurbiprofen Superfamily
Class CFCAD368 Class 368
External ID DNC005397 External Source TTD
PubChem CID 10307922 Functional Category Investigative Drug
Molecule Name 2-(3-Isopropyl-phenyl)-propionic acid
IUPAC Name 2-(3-propan-2-ylphenyl)propanoic acid
Synonyms CHEMBL191103;2-(3-isopropylphenyl)propanoic acid;DNC005397;2-(3-Isopropyl-phenyl)-propionic acid
InChi InChI=1S/C12H16O2/c1-8(2)10-5-4-6-11(7-10)9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChiKey DHFSUPPYOBITGY-UHFFFAOYSA-N
Formula C12H16O2 Molecular Weight 192.25
Cross Link CHEMBL191103
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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