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CHEBI:73290 - PK-11195

ChEBI IDCHEBI:73290
ChEBI NamePK-11195
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine
Last Modified24 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC21H21ClN2O
Net Charge0
Average Mass352.865
Monoisotopic Mass352.13424
SMILESCCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
InChIKeyRAVIZVQZGXBOQO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PK-11195 (CHEBI:73290) has role antineoplastic agent (CHEBI:35610)
PK-11195 (CHEBI:73290) is a aromatic amide (CHEBI:62733)
PK-11195 (CHEBI:73290) is a isoquinolines (CHEBI:24922)
PK-11195 (CHEBI:73290) is a monocarboxylic acid amide (CHEBI:29347)
PK-11195 (CHEBI:73290) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
Synonyms  Source
RP 52028ChemIDplus
PK11195ChemIDplus
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamideChemIDplus
Manual XrefsDatabases
PK-11195Wikipedia
LSM-1532LINCS
Registry NumbersSources
Reaxys:4264456Reaxys
CAS:85532-75-8ChemIDplus
Citations