CFam Chemical Families Database
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You are searching for "CFAMM00434315" in compound.

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CFAM Mol ID CFAMM00434315
Family CFFBM15484 Oxytocin receptor and Vasopressin V1a receptor ligand N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide family
Superfamily CFSBM500 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily 2
Class CFCID335 Class 1685
External ID CHEMBL31065 External Source CHEMBL
PubChem CID 10416272 Functional Category Bioactive
Molecule Name N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
IUPAC Name N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Synonyms CHEBI:143208
InChi InChI=1S/C31H27F3N4O6/c32-31(33,34)22-6-8-28(40)37(16-22)17-27(39)35-15-24-14-21-13-19(5-7-26(21)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-20(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39)
InChiKey IPCCGVSSQPPAAN-UHFFFAOYSA-N
Formula C31H27F3N4O6 Molecular Weight 608.56
Cross Link CHEMBL31065
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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