1039992

Source:http://linkedlifedata.com/resource/chembl/compound/1039992

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C18H17NO3/c1-19-7-6-10-8-13-18(22-9-21-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+/m0/s1
chemicalCompound:standardIn...	NVMGTUCOAQKLLO-DLBZAZTESA-N
chemicalCompound:canonicalS...	CN1CCc2cc3OCOc3c4c5ccccc5[C@@H](O)[C@@H]1c24
chemicalCompound:molecularF...	C18H17NO3
chemicalCompound:moleculeId	1039992
chemicalCompound:mwFreebase	295.332
chemicalCompound:alogp	2.536
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.93
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.46
chemicalCompound:acdLogP	3.743
chemicalCompound:acdLogD	3.526
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	295.332
chemicalCompound:acdMostBpk...	7.153
chemicalCompound:chemblId	CHEMBL1617041
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1139992
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No