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CHEBI:61077 - BML-210

ChEBI IDCHEBI:61077
ChEBI NameBML-210
Stars
DefinitionA dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene.
Last Modified26 February 2016
SubmitterSandra Orchard
DownloadsMolfile
FormulaC20H25N3O2
Net Charge0
Average Mass339.439
Monoisotopic Mass339.19468
SMILESNc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
InChIKeyRFLHBLWLFUFFDZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BML-210 (CHEBI:61077) has functional parent suberic acid (CHEBI:9300)
BML-210 (CHEBI:61077) has role antineoplastic agent (CHEBI:35610)
BML-210 (CHEBI:61077) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
BML-210 (CHEBI:61077) is a dicarboxylic acid diamide (CHEBI:35779)
IUPAC Name 
N-(2-aminophenyl)-N'-phenyoctanediamide
Synonym  Source
N-(2-aminophenyl)-N'-phenyl-octanediamideSUBMITTER
Manual XrefsDatabases
LSM-37001LINCS
Registry NumbersSources
Reaxys:9430672Reaxys
CAS:537034-17-6SUBMITTER
Citations