262041

Source:http://linkedlifedata.com/resource/chembl/compound/262041

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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/C13H17N3O4/c1-18-9-4-8(5-10(6-9)19-2)11-7-14-12(15-11)16-13(17)20-3/h4-6,11H,7H2,1-3H3,(H2,14,15,16,17)
chemicalCompound:standardIn...	HAAZHULWKKXGNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)NC1=NC(CN1)c2cc(OC)cc(OC)c2
chemicalCompound:molecularF...	C13 H17 N3 O4
chemicalCompound:moleculeId	262041
chemicalCompound:mwFreebase	279.292
chemicalCompound:alogp	1.455
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	81.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.98
chemicalCompound:acdLogP	1.532
chemicalCompound:acdLogD	1.332
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	279.292
chemicalCompound:acdMostBpk...	6.946
chemicalCompound:chemblId	CHEMBL351135
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362041
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:818221, activity:818222, activity:818223, activity:818224, activity:818225, activity:818226