CFam Chemical Families Database
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You are searching for "CFAMM00395413" in compound.

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CFAM Mol ID CFAMM00395413
Family CFFBM9428 Bifunctional epoxide hydrolase 2 inhibitor AGN-PC-0733AC family
Superfamily CFSBM4848 Dipeptidyl peptidase 4 and Bifunctional epoxide hydrolase 2 Binder Superfamily
Class CFCCD421 Class 1234
External ID CHEMBL1938497 External Source CHEMBL
PubChem CID 57392437 Functional Category Bioactive
Molecule Name N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
IUPAC Name N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
Synonyms AGN-PC-0BTI1K;N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
InChi InChI=1S/C27H27ClN6O2/c28-22-8-6-19(7-9-22)25(21-4-3-13-29-18-21)31-24(35)12-17-34-15-10-20(11-16-34)27-32-26(33-36-27)23-5-1-2-14-30-23/h1-9,13-14,18,20,25H,10-12,15-17H2,(H,31,35)
InChiKey GDVDZXKLBLBAPS-UHFFFAOYSA-N
Formula C27H27ClN6O2 Molecular Weight 503.00
Cross Link CHEMBL1938497
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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