387990

Source:http://linkedlifedata.com/resource/chembl/compound/387990

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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/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
chemicalCompound:standardIn...	UJIAQDJKSXQLIT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4
chemicalCompound:molecularF...	C18 H14 N6 O2
chemicalCompound:moleculeId	387990
chemicalCompound:mwFreebase	346.343
chemicalCompound:alogp	2.687
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	144.06
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.54
chemicalCompound:acdLogP	1.685
chemicalCompound:acdLogD	1.621
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.343
chemicalCompound:acdMostBpk...	5.229
chemicalCompound:chemblId	CHEMBL230011
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:487990
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:1914913, activity:1918375, activity:1918376, activity:1918378, activity:1918408, activity:1918409, activity:1918410, activity:1918411, activity:1918413, activity:1918433, activity:1918434, activity:1918435, activity:1918457, activity:1918458, activity:1918474, activity:1918475, activity:1933277, activity:1933278, activity:1933355, activity:1933356, activity:7574456, activity:7574457, activity:7574458, activity:7574459, activity:7574460, activity:7574461, activity:7574462, activity:7574463, activity:7574464, activity:7574465, activity:7574466, activity:7574467, activity:7574468, activity:7574469, activity:7574470, activity:7574471, activity:7574472, activity:7574473, activity:7574474, activity:7574475, activity:7574476, activity:7574477, activity:7574478, activity:7574479, activity:7574480, activity:7574481, activity:7574482, activity:7574483, activity:7574484, activity:7574485, activity:7574486, activity:7574487, activity:7574488, activity:7574489, activity:7574490, activity:7574491, activity:7574492, activity:7574493, activity:7574494, activity:7574495, activity:7574496, activity:7574497, activity:7574498, activity:7574499, activity:7574500, activity:7574501