222

Source:http://linkedlifedata.com/resource/chembl/compound/222

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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/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
chemicalCompound:standardIn...	UQHKJRCFSLMWIA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCN)c4ccccc34)c5ccccc15
chemicalCompound:molecularF...	C24H22N4O2
chemicalCompound:moleculeId	222
chemicalCompound:mwFreebase	398.457
chemicalCompound:alogp	2.795
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	82.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.879
chemicalCompound:acdLogP	5.729
chemicalCompound:acdLogD	3.141
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	398.457
chemicalCompound:acdMostBpk...	10.238
chemicalCompound:chemblId	CHEMBL269264
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100222
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:41073
chemicalCompound:activity	activity:518877, activity:518878, activity:1001493, activity:1001494, activity:1655393, activity:1655394, activity:1657790, activity:1657791, activity:2121913, activity:2121939, activity:3447391, activity:3447392, activity:3447393, activity:3447394, activity:3447395, activity:3447396, activity:3447397, activity:3447398, activity:3447399, activity:3447400, activity:3447401, activity:3447402, activity:3447403, activity:3447404, activity:3447405, activity:3447406, activity:3447407, activity:3447408, activity:3447409, activity:3447410, activity:3447411, activity:3447412, activity:3447413, activity:3447414