106151

Source:http://linkedlifedata.com/resource/chembl/compound/106151

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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/C21H20N6O2/c1-27(2)21-25-19(14-7-5-4-6-8-14)24-20(26-21)23-15-9-10-16(17(11-15)28-3)18-12-22-13-29-18/h4-13H,1-3H3,(H,23,24,25,26)
chemicalCompound:standardIn...	IBWTWYCJJKAGNJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Nc2nc(nc(n2)c3ccccc3)N(C)C)ccc1c4ocnc4
chemicalCompound:molecularF...	C21 H20 N6 O2
chemicalCompound:moleculeId	106151
chemicalCompound:mwFreebase	388.422
chemicalCompound:alogp	2.753
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	89.2
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.192
chemicalCompound:acdLogD	5.192
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	388.422
chemicalCompound:acdMostBpk...	3.281
chemicalCompound:chemblId	CHEMBL68220
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206151
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:551307, activity:551308