885422

Source:http://linkedlifedata.com/resource/chembl/compound/885422

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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/C16H17N5O2/c1-4-23-13-7-5-12(6-8-13)18-19-14-15-17-10(2)9-11(3)21(15)20-16(14)22/h5-9H,4H2,1-3H3,(H,20,22)
chemicalCompound:standardIn...	ZBZLHYBHPORVTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)N=NC2=C3N=C(C)C=C(C)N3NC2=O
chemicalCompound:molecularF...	C16H17N5O2
chemicalCompound:moleculeId	885422
chemicalCompound:mwFreebase	311.338
chemicalCompound:alogp	2.261
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	78.64
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.793
chemicalCompound:acdLogP	3.482
chemicalCompound:acdLogD	2.112
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	311.338
chemicalCompound:acdMostBpk...	8.867
chemicalCompound:chemblId	CHEMBL1461538
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:985422
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:3908957, activity:4023505, activity:4278920, activity:4329391, activity:4749461, activity:4814364, activity:5360371, activity:5551839, activity:5704236, activity:5803033, activity:6637333, activity:6828344, activity:7208856, activity:7558710