967006

Source:http://linkedlifedata.com/resource/chembl/compound/967006

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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/C19H13N5O7/c25-18(11-5-7-12(8-6-11)23(27)28)21-22-17(15-9-10-16(31-15)24(29)30)20-14-4-2-1-3-13(14)19(22)26/h1-10,17,20H,(H,21,25)
chemicalCompound:standardIn...	NKKHNXJKSMMIIF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1oc(cc1)C2Nc3ccccc3C(=O)N2NC(=O)c4ccc(cc4)[N+](=O)[O-]
chemicalCompound:molecularF...	C19H13N5O7
chemicalCompound:moleculeId	967006
chemicalCompound:mwFreebase	423.336
chemicalCompound:alogp	2.801
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	166.21
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.595
chemicalCompound:acdLogP	2.601
chemicalCompound:acdLogD	2.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.336
chemicalCompound:chemblId	CHEMBL1543122
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1067006
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:3966742, activity:4051684, activity:4152796, activity:4234521, activity:4321339, activity:4351271, activity:4505216, activity:4594218, activity:4664816, activity:5039167, activity:5048300, activity:5396407, activity:5413979, activity:5429749, activity:5526615, activity:5569760, activity:5655116, activity:5687771, activity:5773516, activity:5795771, activity:5856416, activity:5879373, activity:6458027, activity:6581827, activity:6763692, activity:7018713, activity:7147354, activity:7227976, activity:7297913, activity:7352328, activity:7519498, activity:8314043, activity:9795282, activity:10110691