562348

Source:http://linkedlifedata.com/resource/chembl/compound/562348

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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/C18H18N2O6/c21-8-12-13(22)14(23)15(24)16(25-12)18-19-17(20-26-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-16,21-24H,8H2/t12-,13-,14+,15-,16-/m1/s1
chemicalCompound:standardIn...	NDXBGWPIFXJVFP-IBEHDNSVSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)c2onc(n2)c3ccc4ccccc4c3
chemicalCompound:molecularF...	C18H18N2O6
chemicalCompound:moleculeId	562348
chemicalCompound:mwFreebase	358.345
chemicalCompound:alogp	0.036
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	129.07
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.641
chemicalCompound:acdLogP	0.317
chemicalCompound:acdLogD	0.317
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.345
chemicalCompound:chemblId	CHEMBL549843
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:662348
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:2684204