CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00418089" 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 CFAMM00418089
Family CFFBM12758 Rho-associated protein kinase 2 inhibitor 2-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-1H-quinazolin-4-one family
Superfamily CFSBM5347 Rho-associated protein kinase 2 and Nonstructural protein 1 Binder Superfamily
Class CFCCD463 Class 1276
External ID CHEMBL2333914 External Source CHEMBL
PubChem CID 68624582 Functional Category Bioactive
Molecule Name 2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-quinazolin-4-one
IUPAC Name 2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-quinazolin-4-one
Synonyms SureCN3389658
InChi InChI=1S/C19H16FN5O/c20-14-3-1-2-11(6-14)7-16(21)18-24-17-5-4-12(13-9-22-23-10-13)8-15(17)19(26)25-18/h1-6,8-10,16H,7,21H2,(H,22,23)(H,24,25,26)/t16-/m1/s1
InChiKey JGMJIFAXYMYHRC-MRXNPFEDSA-N
Formula C19H16FN5O Molecular Weight 349.36
Cross Link CHEMBL2333914
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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