CFam Chemical Families Database
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You are searching for "CFAMM00415144" 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 CFAMM00415144
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 CHEMBL390776 External Source CHEMBL
PubChem CID 11153488 Functional Category Bioactive
Molecule Name SureCN3422073
IUPAC Name 2-[[2-(3-aminopiperidin-1-yl)-8-methoxy-4-oxoquinazolin-3-yl]methyl]benzonitrile
Synonyms AGN-PC-046R34;2-[[2-[(3R)-3-aminopiperidin-1-yl]-8-methoxy-4-oxoquinazolin-3-yl]methyl]benzonitrile
InChi InChI=1S/C22H23N5O2/c1-29-19-10-4-9-18-20(19)25-22(26-11-5-8-17(24)14-26)27(21(18)28)13-16-7-3-2-6-15(16)12-23/h2-4,6-7,9-10,17H,5,8,11,13-14,24H2,1H3
InChiKey CWYRIAXMURYWCO-UHFFFAOYSA-N
Formula C22H23N5O2 Molecular Weight 389.45
Cross Link CHEMBL390776
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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