CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00415142" 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 CFAMM00415142
Family CFFBM12352 Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor SureCN3427450 family
Superfamily CFSBM159 Vasopressin V1b receptor and Beta-secretase 1 Binder Superfamily
Class CFCID107 Class 1457
External ID CHEMBL375508 External Source CHEMBL
PubChem CID 16658104 Functional Category Bioactive
Molecule Name SureCN3425298
IUPAC Name 2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-methoxy-4-oxoquinazolin-3-yl]methyl]benzonitrile
Synonyms quinazolinone-based inhibitor 1j
InChi InChI=1S/C22H22FN5O2/c1-30-20-9-17-19(10-18(20)23)26-22(27-8-4-7-16(25)13-27)28(21(17)29)12-15-6-3-2-5-14(15)11-24/h2-3,5-6,9-10,16H,4,7-8,12-13,25H2,1H3/t16-/m1/s1
InChiKey QYOZNVCKISSENR-MRXNPFEDSA-N
Formula C22H22FN5O2 Molecular Weight 407.44
Cross Link CHEMBL375508
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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