194596

Source:http://linkedlifedata.com/resource/chembl/compound/194596

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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/C13H18N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-6,9H,3,7H2,1-2H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	ORVQTLAPNXJUEJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CC2CN=C(N)N=C2N)cc(OC)c1
chemicalCompound:molecularF...	C13 H18 N4 O2
chemicalCompound:moleculeId	194596
chemicalCompound:mwFreebase	262.308
chemicalCompound:alogp	1.115
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	95.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.899
chemicalCompound:acdLogD	-1.101
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	262.308
chemicalCompound:acdMostBpk...	15.756
chemicalCompound:chemblId	CHEMBL118262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294596
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:875721