CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00178087" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00178087
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL105708 External Source CHEMBL
PubChem CID 44332915 Functional Category Bioactive
Molecule Name benzyl N-[(2S)-1-[[1-(2-methylpropyl)-2,5-dioxopiperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name benzyl N-[(2S)-1-[[1-(2-methylpropyl)-2,5-dioxopiperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:267404
InChi InChI=1S/C26H31N3O5/c1-18(2)15-29-16-23(30)21(14-24(29)31)27-25(32)22(13-19-9-5-3-6-10-19)28-26(33)34-17-20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H,27,32)(H,28,33)/t21?,22-/m0/s1
InChiKey PXXQXBNYVWENDC-KEKNWZKVSA-N
Formula C26H31N3O5 Molecular Weight 465.54
Cross Link CHEMBL105708
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
 

 

27521 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00178087'),None, txtsearch, CFAMM00178087|