887430

Source:http://linkedlifedata.com/resource/chembl/compound/887430

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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/C14H14N2O3/c1-10-13(6-7-19-10)14(17)16-15-9-11-4-3-5-12(8-11)18-2/h3-9H,1-2H3,(H,16,17)
chemicalCompound:standardIn...	IBGKHWDQUUAZCD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(C=NNC(=O)c2ccoc2C)c1
chemicalCompound:molecularF...	C14H14N2O3
chemicalCompound:moleculeId	887430
chemicalCompound:mwFreebase	258.273
chemicalCompound:alogp	1.916
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.83
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.344
chemicalCompound:acdLogP	2.066
chemicalCompound:acdLogD	2.066
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.273
chemicalCompound:chemblId	CHEMBL1463546
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:987430
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:3816104, activity:3853983, activity:3894755, activity:4083088, activity:4280471, activity:4740606, activity:4826218, activity:4899148, activity:5472526, activity:5621215, activity:5680217, activity:5937084, activity:6662636, activity:6881951, activity:7135635, activity:7410017, activity:7478195, activity:7536424