261682

Source:http://linkedlifedata.com/resource/chembl/compound/261682

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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/C13H17N3O2/c1-9-6-4-5-7-10(9)11-8-16(2)12(14-11)15-13(17)18-3/h4-7,11H,8H2,1-3H3,(H,14,15,17)
chemicalCompound:standardIn...	FQWWGLUCQCYGLO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC(CN1C)c2ccccc2C
chemicalCompound:molecularF...	C13 H17 N3 O2
chemicalCompound:moleculeId	261682
chemicalCompound:mwFreebase	247.293
chemicalCompound:alogp	2.18
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	53.93
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.764
chemicalCompound:acdLogP	1.674
chemicalCompound:acdLogD	0.965
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	247.293
chemicalCompound:acdMostBpk...	8.035
chemicalCompound:chemblId	CHEMBL155809
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361682
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:817129, activity:817130, activity:817131, activity:817132, activity:817133, activity:817134