CFam Chemical Families Database
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You are searching for "CFAMM00322605" 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 CFAMM00322605
Family CFFBM1371 Dipeptidyl peptidase 4 inhibitor Xanthine mimetic compound 8 family
Superfamily CFSBM779 Dipeptidyl peptidase 4 Binder Superfamily 4
Class CFCCD214 Class 1027
External ID CHEMBL1287902 External Source CHEMBL
PubChem CID 52943630 Functional Category Bioactive
Molecule Name 2-[[6-[(3R)-3-amino-3-methylpiperidin-1-yl]-3-methyl-4-oxopyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzonitrile;hydrochloride
IUPAC Name 2-[[6-[(3R)-3-amino-3-methylpiperidin-1-yl]-3-methyl-4-oxopyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzonitrile;hydrochloride
Synonyms CHEBI:814292
InChi InChI=1S/C21H24N6O.ClH/c1-21(23)8-5-9-26(13-21)18-10-17-19(20(28)25(2)14-24-17)27(18)12-16-7-4-3-6-15(16)11-22;/h3-4,6-7,10,14H,5,8-9,12-13,23H2,1-2H3;1H/t21-;/m1./s1
InChiKey BOORBUQYHNXORT-ZMBIFBSDSA-N
Formula C21H25ClN6O Molecular Weight 412.92
Cross Link CHEMBL1287902
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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