893061

Source:http://linkedlifedata.com/resource/chembl/compound/893061

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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/C19H21FN6O3/c1-22-17-16(18(28)23(2)19(22)29)26(12-21-17)11-15(27)25-9-7-24(8-10-25)14-6-4-3-5-13(14)20/h3-6,12H,7-11H2,1-2H3
chemicalCompound:standardIn...	CVSGHRQELTUIIA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2ncn(CC(=O)N3CCN(CC3)c4ccccc4F)c2C1=O
chemicalCompound:molecularF...	C19H21FN6O3
chemicalCompound:moleculeId	893061
chemicalCompound:mwFreebase	400.407
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	81.99
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.787
chemicalCompound:acdLogD	0.787
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	400.407
chemicalCompound:acdMostBpk...	1.373
chemicalCompound:chemblId	CHEMBL1469177
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:993061
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:3938071, activity:5670190, activity:6932578