CFam Chemical Families Database
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You are searching for "CFAMM00418644" in compound.

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CFAM Mol ID CFAMM00418644
Family CFFBM12867 Dipeptidyl peptidase 4 inhibitor 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-(quinolin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-one family
Superfamily CFSID2470 Glutamate receptor 1 Ligand Piriqualone Superfamily
Class CFCCD27 Class 840
External ID CHEMBL1829423 External Source CHEMBL
PubChem CID 54758308 Functional Category Bioactive
Molecule Name N-(3-aminopropyl)-N-[1-(3-benzyl-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
IUPAC Name N-(3-aminopropyl)-N-[1-(3-benzyl-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
Synonyms AGN-PC-0AC0L8;N-(3-aminopropyl)-N-[1-(3-benzyl-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
InChi InChI=1S/C28H33N5O2/c1-4-24(32(17-8-16-29)27(34)22-13-11-20(2)12-14-22)26-30-23-15-18-31(3)25(23)28(35)33(26)19-21-9-6-5-7-10-21/h5-7,9-15,18,24H,4,8,16-17,19,29H2,1-3H3
InChiKey NDKLWLWCAWTABU-UHFFFAOYSA-N
Formula C28H33N5O2 Molecular Weight 471.59
Cross Link CHEMBL1829423
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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