290471

Source:http://linkedlifedata.com/resource/chembl/compound/290471

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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/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-21(17(16)19-12-20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20,22)
chemicalCompound:standardIn...	YTLWLZPZXNOVGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1NC=Nc2c1c(cn2c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C18H13N3O
chemicalCompound:moleculeId	290471
chemicalCompound:mwFreebase	287.315
chemicalCompound:alogp	3.269
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.39
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.341
chemicalCompound:acdLogP	3.385
chemicalCompound:acdLogD	3.385
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.315
chemicalCompound:acdMostBpk...	1.284
chemicalCompound:chemblId	CHEMBL173474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:390471
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:720606, activity:720607, activity:720608, activity:720609, activity:720610, activity:2520451, activity:3810509, activity:5623475, activity:5845377, activity:6636343, activity:7310152