390145

Source:http://linkedlifedata.com/resource/chembl/compound/390145

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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/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22)
chemicalCompound:standardIn...	IPBVFYCAVIISQF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc2cc3ccc(NC(=O)C)cc3nc2c1
chemicalCompound:molecularF...	C17 H15 N3 O2
chemicalCompound:moleculeId	390145
chemicalCompound:mwFreebase	293.32
chemicalCompound:alogp	1.593
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	71.09
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.117
chemicalCompound:acdLogP	2.138
chemicalCompound:acdLogD	1.863
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.32
chemicalCompound:acdMostBpk...	7.907
chemicalCompound:chemblId	CHEMBL244683
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:490145
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:1932364, activity:1932418, activity:1932461, activity:1932508, activity:1932534, activity:2648222, activity:2648241, activity:2648260, activity:2648279, activity:2648298, activity:2648317, activity:3620625, activity:3712297, activity:3771596, activity:3822601, activity:3833858, activity:3943717, activity:4011636, activity:4108143, activity:4470212, activity:4585503, activity:4592915, activity:4752240, activity:4846523, activity:4880647, activity:4958276, activity:5503990, activity:5505495, activity:5669270, activity:5853252, activity:5857593, activity:5865851, activity:5901228, activity:6457839, activity:6579140, activity:6638812, activity:6719715, activity:6773545, activity:6864609, activity:6883932, activity:6896120, activity:6973859, activity:7024574, activity:7056818, activity:7196274, activity:7207721, activity:7294639, activity:7385014, activity:10655353