CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00059058" 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 CFAMM00059058
Family CFFAD419 Alpha-1B adrenergic receptor ligand Morpholine derivative Phendimetrazine Family
Superfamily CFSAD302 Biogenic amine receptor Diphenhydramine Phendimetrazine Diphenylpyraline Superfamily
Class CFCAD231 Class 231
External ID ZINC02102017 External Source ZINC
PubChem CID 1757454 Functional Category Natural Product
Molecule Name [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[5-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylazaniumyl]pentyl]azanium
IUPAC Name [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[5-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylazaniumyl]pentyl]azanium
Synonyms AC1LWS9N;[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-[5-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylazaniumyl]pentyl]azanium
InChi InChI=1S/C25H34N2O2/c1(6-14-26-18-24-22-10-4-2-8-20(22)12-16-28-24)7-15-27-19-25-23-11-5-3-9-21(23)13-17-29-25/h2-5,8-11,24-27H,1,6-7,12-19H2/p+2/t24-,25+
InChiKey NEHYCGHZQBAVCX-PLQXJYEYSA-P
Formula C25H36N2O2+2 Molecular Weight 396.57
Cross Link
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
 

 

27627 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', 'CFAMM00059058'),None, txtsearch, CFAMM00059058|