491282

Source:http://linkedlifedata.com/resource/chembl/compound/491282

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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/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
chemicalCompound:standardIn...	FANYWVRVEKFHBJ-OWVAZHOYSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C17H19NO6
chemicalCompound:moleculeId	491282
chemicalCompound:mwFreebase	333.336
chemicalCompound:alogp	-0.209
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	119.25
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.002
chemicalCompound:acdLogP	0.603
chemicalCompound:acdLogD	0.603
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.336
chemicalCompound:chemblId	CHEMBL488967
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:591282
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:2466497, activity:2684185, activity:3101146, activity:3101147, activity:8020954