CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00400262" 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 CFAMM00400262
Family CFFBM10188 Integrin beta-3 and Integrin alpha-V inhibitor (3S)-3-(1,3-benzodioxol-5-yl)-4-[3-[4-[(4-methylpyridin-2-yl)amino]butyl]-1,2,4-oxadiazol-5-yl]butanoic acid family
Superfamily CFSBM80 Plasminogen and Integrin beta-3 Binder Superfamily
Class CFCAD513 Class 513
External ID CHEMBL1082179 External Source CHEMBL
PubChem CID 46880783 Functional Category Bioactive
Molecule Name AGN-PC-07ZA2I
IUPAC Name [2-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-([1,2,5]oxadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]methanone
Synonyms [2-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-([1,2,5]oxadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]methanone
InChi InChI=1S/C30H38N6O4/c1-20(14-21-6-8-26-27(15-21)39-19-38-26)16-34-17-22-4-2-3-5-23(22)24(18-34)30(37)36-12-10-35(11-13-36)28-9-7-25-29(31-28)33-40-32-25/h6-9,15,20,22-24H,2-5,10-14,16-19H2,1H3
InChiKey ZRYOTPJBMKOUMB-UHFFFAOYSA-N
Formula C30H38N6O4 Molecular Weight 546.66
Cross Link CHEMBL1082179
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
 

 

27518 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', 'CFAMM00400262'),None, txtsearch, CFAMM00400262|