194556

Source:http://linkedlifedata.com/resource/chembl/compound/194556

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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/C15H15NO3/c1-19-15-5-4-10(8-14(15)16)2-3-11-6-12(17)9-13(18)7-11/h2-9,17-18H,16H2,1H3/b3-2+
chemicalCompound:standardIn...	ZEGFMANMSVXUMV-NSCUHMNNSA-N
chemicalCompound:canonicalS...	COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1N
chemicalCompound:molecularF...	C15 H15 N O3
chemicalCompound:moleculeId	194556
chemicalCompound:mwFreebase	257.284
chemicalCompound:alogp	2.569
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	75.71
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.178
chemicalCompound:acdLogP	2.308
chemicalCompound:acdLogD	2.3
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	257.284
chemicalCompound:acdMostBpk...	4.235
chemicalCompound:chemblId	CHEMBL325501
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294556
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:129910, activity:129911