CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00572158" 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 CFAMM00572158
Family CFFNP3880 1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate NP ZINC20411112 Family
Superfamily CFSBM10676 Nuclear receptor ROR-gamma and Microtubule-associated protein tau Binder Superfamily 6
Class CFCID726 Class 2076
External ID ZINC20411115 External Source ZINC
PubChem CID 7047035 Functional Category Natural Product
Molecule Name (3S)-methyl 1-(thiophen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name methyl (1R,3S)-1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Synonyms ZINC20411115;methyl (1R,3S)-1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
InChi InChI=1S/C17H16N2O2S/c1-21-17(20)13-9-11-10-5-2-3-6-12(10)18-15(11)16(19-13)14-7-4-8-22-14/h2-8,13,16,18-19H,9H2,1H3/t13-,16-/m0/s1
InChiKey KYUMJWNDZQTKTB-BBRMVZONSA-N
Formula C17H16N2O2S Molecular Weight 312.39
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
 

 

27514 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', 'CFAMM00572158'),None, txtsearch, CFAMM00572158|