CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00491961" 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 CFAMM00491961
Family CFFBM30470 Sodium-dependent dopamine transporter inhibitor methyl (2R)-2-(3,4-dimethoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate family
Superfamily CFSBM1782 Prelamin-A/C and Beta-lactamase Binder Superfamily 22
Class CFCAD333 Class 333
External ID ZINC00518629 External Source ZINC
PubChem CID 6942190 Functional Category Natural Product
Molecule Name AC1OCLRH
IUPAC Name [(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
Synonyms ZINC00518629;[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
InChi InChI=1S/C18H25NO3/c1-21-16-9-7-14(8-10-16)18(20)22-13-15-5-4-12-19-11-3-2-6-17(15)19/h7-10,15,17H,2-6,11-13H2,1H3/p+1/t15-,17-/m1/s1
InChiKey VXDPQMMZUVIUEI-NVXWUHKLSA-O
Formula C18H26NO3+ Molecular Weight 304.40
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
 

 

48694 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', 'CFAMM00491961'),None, txtsearch, CFAMM00491961|