577233

Source:http://linkedlifedata.com/resource/chembl/compound/577233

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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/C12H10N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,18)
chemicalCompound:standardIn...	HOHGWOUABYDGBN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1O
chemicalCompound:molecularF...	C12H10N2O5
chemicalCompound:moleculeId	577233
chemicalCompound:mwFreebase	262.218
chemicalCompound:alogp	0.606
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	104.73
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.089
chemicalCompound:acdLogP	-0.078
chemicalCompound:acdLogD	-0.598
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.218
chemicalCompound:chemblId	CHEMBL565660
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:677233
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:2992750, activity:3620229, activity:3772910, activity:3785897, activity:4068195, activity:4191044, activity:4378676, activity:5588317, activity:5695716, activity:6783278, activity:7061541, activity:7107595, activity:7227008, activity:7390461, activity:8253902