262377

Source:http://linkedlifedata.com/resource/chembl/compound/262377

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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/C13H17N3O3/c1-16-8-11(14-12(16)15-13(17)19-3)9-5-4-6-10(7-9)18-2/h4-7,11H,8H2,1-3H3,(H,14,15,17)
chemicalCompound:standardIn...	KSJQNCCYYFHXLO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC(CN1C)c2cccc(OC)c2
chemicalCompound:molecularF...	C13 H17 N3 O3
chemicalCompound:moleculeId	262377
chemicalCompound:mwFreebase	263.292
chemicalCompound:alogp	1.677
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	63.16
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.776
chemicalCompound:acdLogP	1.423
chemicalCompound:acdLogD	0.671
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.292
chemicalCompound:acdMostBpk...	8.091
chemicalCompound:chemblId	CHEMBL160684
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362377
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:801864, activity:801865, activity:801866, activity:801867, activity:801868, activity:801869, activity:801870, activity:801871