349503

Source:http://linkedlifedata.com/resource/chembl/compound/349503

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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/C17H18N4O3/c1-3-24-17-13(10-18)14(19)9-15(21-17)20-16(22)8-11-4-6-12(23-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H3,19,20,21,22)
chemicalCompound:standardIn...	ABBHPRNOFIXTQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N
chemicalCompound:molecularF...	C17 H18 N4 O3
chemicalCompound:moleculeId	349503
chemicalCompound:mwFreebase	326.35
chemicalCompound:alogp	2.025
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.422
chemicalCompound:acdLogP	4.199
chemicalCompound:acdLogD	4.199
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	326.35
chemicalCompound:acdMostBpk...	1.651
chemicalCompound:chemblId	CHEMBL426134
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:449503
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:1722695, activity:1722802, activity:1722821