921458

Source:http://linkedlifedata.com/resource/chembl/compound/921458

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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/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23)
chemicalCompound:standardIn...	BQHCBHGIMFAGFX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)c1ccc2C=C(C(=O)Nc3ccccn3)C(=O)Oc2c1
chemicalCompound:molecularF...	C19H19N3O3
chemicalCompound:moleculeId	921458
chemicalCompound:mwFreebase	337.372
chemicalCompound:alogp	2.893
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.495
chemicalCompound:acdLogP	3.333
chemicalCompound:acdLogD	3.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.372
chemicalCompound:acdMostBpk...	3.015
chemicalCompound:chemblId	CHEMBL1497574
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1021458
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:3616138, activity:3714168, activity:3769641, activity:3769699, activity:3802267, activity:3832883, activity:3835264, activity:3861719, activity:3954734, activity:4008676, activity:4009770, activity:4069721, activity:4078848, activity:4129565, activity:4132214, activity:4518601, activity:4740195, activity:4785545, activity:4976596, activity:4994815, activity:5428743, activity:5501999, activity:5552757, activity:5651466, activity:5695354, activity:5708122, activity:5895763, activity:5963712, activity:5971318, activity:6743264, activity:6868911, activity:7004026, activity:7021734, activity:7037754, activity:7195722, activity:7214965, activity:7319509, activity:7421912, activity:7439320, activity:10577507