376220

Source:http://linkedlifedata.com/resource/chembl/compound/376220

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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/C21H16N2O/c24-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14,24H,(H,22,23)
chemicalCompound:standardIn...	IKZDMJSZEMDIMC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1c2nc(c3ccccc3)c([nH]2)c4ccccc4
chemicalCompound:molecularF...	C21 H16 N2 O
chemicalCompound:moleculeId	376220
chemicalCompound:mwFreebase	312.365
chemicalCompound:alogp	5.157
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	48.91
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.162
chemicalCompound:acdLogP	4.426
chemicalCompound:acdLogD	4.414
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.365
chemicalCompound:acdMostBpk...	4.795
chemicalCompound:chemblId	CHEMBL389656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:476220
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:1854273, activity:1854297, activity:1854321, activity:1854345, activity:1854369, activity:1854393, activity:1854417, activity:1854441, activity:1854465, activity:1854489, activity:1854513, activity:4419649