190

Source:http://linkedlifedata.com/resource/chembl/compound/190

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1049518
chemicalCompound:standardIn...	InChI=1S/C11H13N3O6.ClH/c1-19-10(15)9(12)6-20-11(16)13-7-2-4-8(5-3-7)14(17)18;/h2-5,9H,6,12H2,1H3,(H,13,16);1H/t9-;/m0./s1
chemicalCompound:standardIn...	XXDDRLCOWXFJBD-FVGYRXGTSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)[C@@H](N)COC(=O)Nc1ccc(cc1)[N+](=O)[O-]
chemicalCompound:molecularF...	C11H14ClN3O6
chemicalCompound:moleculeId	190
chemicalCompound:mwFreebase	283.237
chemicalCompound:alogp	0.501
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	136.47
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.181
chemicalCompound:acdLogP	1.438
chemicalCompound:acdLogD	1.436
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	319.698
chemicalCompound:acdMostBpk...	4.925
chemicalCompound:chemblId	CHEMBL6267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100190
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:334574, activity:334575, activity:334576, activity:334577, activity:334578, activity:334579