142492

Source:http://linkedlifedata.com/resource/chembl/compound/142492

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H23NO3/c1-4-29-25(28)23-21(16-15-19-11-7-5-8-12-19)22(18(3)27)17(2)26-24(23)20-13-9-6-10-14-20/h5-14,21,26H,4H2,1-3H3
chemicalCompound:standardIn...	GJHYUVGBLVHQNH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=C(NC(=C(C1C#Cc2ccccc2)C(=O)C)C)c3ccccc3
chemicalCompound:molecularF...	C25 H23 N O3
chemicalCompound:moleculeId	142492
chemicalCompound:mwFreebase	385.455
chemicalCompound:alogp	3.92
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.4
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.046
chemicalCompound:acdLogD	5.046
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.455
chemicalCompound:acdMostBpk...	1.635
chemicalCompound:chemblId	CHEMBL89343
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:242492
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:337642, activity:337643, activity:337644, activity:337645