871728

Source:http://linkedlifedata.com/resource/chembl/compound/871728

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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/C18H20N2O3/c1-12-5-10-15(11-16(12)20(22)23)19-17(21)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3,(H,19,21)
chemicalCompound:standardIn...	ZMBYWCPUULJLRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1[N+](=O)[O-]
chemicalCompound:molecularF...	C18H20N2O3
chemicalCompound:moleculeId	871728
chemicalCompound:mwFreebase	312.363
chemicalCompound:alogp	4.395
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	74.92
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.88
chemicalCompound:acdLogP	5.984
chemicalCompound:acdLogD	5.984
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.363
chemicalCompound:chemblId	CHEMBL1447844
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:971728
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:3631316, activity:3802955, activity:3832971, activity:3926537, activity:4009261, activity:4732051, activity:4738157, activity:4753528, activity:4847325, activity:4978442, activity:5353922, activity:5410275, activity:5541428, activity:5653157, activity:5683031, activity:5796511, activity:5874090, activity:6660449, activity:6740896, activity:6984967, activity:7169251, activity:7414413