1286067

Source:http://linkedlifedata.com/resource/chembl/compound/1286067

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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/C23H18N4O3/c28-27(29)20-10-13-23(24-15-20)26-25-14-17-8-11-21(12-9-17)30-16-19-6-3-5-18-4-1-2-7-22(18)19/h1-15H,16H2,(H,24,26)/b25-14+
chemicalCompound:standardIn...	SFOWSFRAUJGEOT-AFUMVMLFSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(N\N=C\c2ccc(OCc3cccc4ccccc34)cc2)nc1
chemicalCompound:molecularF...	C23H18N4O3
chemicalCompound:moleculeId	1286067
chemicalCompound:mwFreebase	398.414
chemicalCompound:alogp	5.207
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	92.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.351
chemicalCompound:acdLogP	7.046
chemicalCompound:acdLogD	7.045
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	398.414
chemicalCompound:acdMostBpk...	2.581
chemicalCompound:chemblId	CHEMBL1964776
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1386067
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:3826372, activity:3948183, activity:4035393, activity:4561568, activity:4596872, activity:4953176, activity:5329717, activity:5500900, activity:5560107, activity:5652301, activity:5652985, activity:5873122, activity:6468212, activity:6516124, activity:6777759, activity:6942698, activity:7088129, activity:7230456, activity:7532602, activity:10581582