458832

Source:http://linkedlifedata.com/resource/chembl/compound/458832

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:458832_NSC-102938_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,12H,1-2H3
chemicalCompound:standardIn...	OTWXNFLYCUROMG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)C(=NNc1ccccc1)C(=O)C
chemicalCompound:molecularF...	C11H12N2O2
chemicalCompound:moleculeId	458832
chemicalCompound:mwFreebase	204.225
chemicalCompound:alogp	1.507
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	58.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.664
chemicalCompound:acdLogP	1.253
chemicalCompound:acdLogD	-0.303
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	204.225
chemicalCompound:chemblId	CHEMBL463689
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:558832
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:2610264