170994

Source:http://linkedlifedata.com/resource/chembl/compound/170994

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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/C18H19NO2/c1-10-2-3-12-9-19-15-5-4-11-7-16(20)17(21)8-14(11)18(15)13(12)6-10/h2-3,6-8,15,18-21H,4-5,9H2,1H3/t15-,18-/m1/s1
chemicalCompound:standardIn...	DUJBUFXUMONRHW-CRAIPNDOSA-N
chemicalCompound:canonicalS...	Cc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
chemicalCompound:molecularF...	C18 H19 N O2
chemicalCompound:moleculeId	170994
chemicalCompound:mwFreebase	281.349
chemicalCompound:alogp	3.355
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	52.48
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.076
chemicalCompound:acdLogP	2.824
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	281.349
chemicalCompound:acdMostBpk...	9.273
chemicalCompound:chemblId	CHEMBL319707
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270994
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:1153851, activity:1153852, activity:1153853, activity:1153854, activity:1153855, activity:7986063, activity:7986066, activity:7986069