451196

Source:http://linkedlifedata.com/resource/chembl/compound/451196

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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/C26H20N4O3/c31-17-7-8-20-19(13-17)22-21(30(20)11-4-10-29-12-9-27-15-29)14-18(16-5-2-1-3-6-16)23-24(22)26(33)28-25(23)32/h1-3,5-9,12-15,31H,4,10-11H2,(H,28,32,33)
chemicalCompound:standardIn...	KSTJZQFBPSHFQK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2c(c1)c3c4C(=O)NC(=O)c4c(cc3n2CCCn5ccnc5)c6ccccc6
chemicalCompound:molecularF...	C26H20N4O3
chemicalCompound:moleculeId	451196
chemicalCompound:mwFreebase	436.462
chemicalCompound:alogp	3.436
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	89.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.034
chemicalCompound:acdLogP	4.357
chemicalCompound:acdLogD	4.189
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.462
chemicalCompound:acdMostBpk...	7.002
chemicalCompound:chemblId	CHEMBL519238
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:551196
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:2238801, activity:2238802, activity:2238803, activity:2239639