CFam Chemical Families Database
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You are searching for "CFAMM00252957" 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.

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CFAM Mol ID CFAMM00252957
Family CFFID1875 Indoleamine 2,3-dioxygenase 1 Inhibitor N-[2-(indol-3-yl)ethyl]-s-benzyl-dithiocarbamate Family
Superfamily CFSID931 Aldose reductase and Arachidonate 15-lipoxygenase Binder Superfamily
Class CFCID647 Class 1997
External ID DNC006075 External Source TTD
PubChem CID 44406804 Functional Category Investigative Drug
Molecule Name N-[2-(Indol-3-yl)ethyl]-S-benzyl-dithiocarbamate
IUPAC Name benzyl N-[2-(1H-indol-2-yl)ethyl]carbamodithioate
Synonyms AGN-PC-075Z27;DNC006075;benzyl N-[2-(1H-indol-2-yl)ethyl]carbamodithioate;N-[2-(Indol-3-yl)ethyl]-S-benzyl-dithiocarbamate
InChi InChI=1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-16-12-15-8-4-5-9-17(15)20-16/h1-9,12,20H,10-11,13H2,(H,19,21)
InChiKey UDMBZULQHCKYPT-UHFFFAOYSA-N
Formula C18H18N2S2 Molecular Weight 326.48
Cross Link CHEMBL202881
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
 

 

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Dr. Chen Yuzong

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


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