CFam Chemical Families Database
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You are searching for "CFAMM00100030" 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 CFAMM00100030
Family CFFAD738 Histone deacetylase 1 Inhibitor Vorinostat Family
Superfamily CFSAD621 Histone deacetylase 1 Inhibitor Vorinostat Superfamily
Class CFCAD564 Class 564
External ID CHEMBL322069 External Source CHEMBL
PubChem CID 2828746 Functional Category Bioactive
Molecule Name AC1MD03C
IUPAC Name S-(3-anilino-2-methyl-3-oxopropyl) ethanethioate
Synonyms Ambcb5119354;Oprea1_594210;CBDivE_001267;CHEBI:285715;MolPort-002-131-920;HMS1578C02;MCULE-3708109051;AB00074153-01;S-(3-anilino-2-methyl-3-oxopropyl) ethanethioate
InChi InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)
InChiKey POOHUDYDBYYUQO-UHFFFAOYSA-N
Formula C12H15NO2S Molecular Weight 237.32
Cross Link CHEMBL322069
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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