723915

Source:http://linkedlifedata.com/resource/chembl/compound/723915

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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/C17H16FN3O3/c18-11-5-3-4-10(8-11)9-19-21-17(24)14-15(22)12-6-1-2-7-13(12)20-16(14)23/h3-5,8-9H,1-2,6-7H2,(H,21,24)(H2,20,22,23)
chemicalCompound:standardIn...	CMACRXRVWPNGQA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1nc2CCCCc2c(O)c1C(=O)NN=Cc3cccc(F)c3
chemicalCompound:molecularF...	C17H16FN3O3
chemicalCompound:moleculeId	723915
chemicalCompound:mwFreebase	329.326
chemicalCompound:alogp	3.313
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	94.81
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.87
chemicalCompound:acdLogP	3.913
chemicalCompound:acdLogD	0.458
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	329.326
chemicalCompound:acdMostBpk...	13.272
chemicalCompound:chemblId	CHEMBL1300031
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823915
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:3820539, activity:3832991, activity:3872185, activity:3989232, activity:4209227, activity:4748174, activity:4805750, activity:5010968, activity:5442343, activity:5546496, activity:5591345, activity:5677773, activity:5891744, activity:6552803, activity:7188708, activity:7370693, activity:7414710, activity:7512834