245

Source:http://linkedlifedata.com/resource/chembl/compound/245

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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/C12H15NO/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
chemicalCompound:standardIn...	FZVSMNOAJGWONA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[N+]1([O-])CCC(=CC1)c2ccccc2
chemicalCompound:molecularF...	C12 H15 N O
chemicalCompound:moleculeId	245
chemicalCompound:mwFreebase	189.254
chemicalCompound:alogp	1.598
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.262
chemicalCompound:acdLogD	1.262
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	189.254
chemicalCompound:acdMostBpk...	4.525
chemicalCompound:chemblId	CHEMBL267230
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100245
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:17472
chemicalCompound:activity	activity:1250250, activity:1250251, activity:1250252, activity:1250253, activity:1250254