658479

Source:http://linkedlifedata.com/resource/chembl/compound/658479

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1
chemicalCompound:standardIn...	XSIOKTWDEOJMGG-UHFFFAOYSA-O
chemicalCompound:canonicalS...	C[n+]1c2cc(N)ccc2cc3ccc(N)cc13
chemicalCompound:molecularF...	C14H14N3
chemicalCompound:moleculeId	658479
chemicalCompound:mwFreebase	224.281
chemicalCompound:alogp	2.341
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	55.92
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.998
chemicalCompound:acdLogD	-1.998
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	224.281
chemicalCompound:acdMostBpk...	0.262
chemicalCompound:chemblId	CHEMBL1184529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:758479
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:60585