480486

Source:http://linkedlifedata.com/resource/chembl/compound/480486

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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/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
chemicalCompound:standardIn...	WGKLCHBGQMKIIW-MSOLQXFVSA-N
chemicalCompound:canonicalS...	CNC[C@@H](O)[C@@H](N(C)c1ccc(OC)cc1)c2ccccc2
chemicalCompound:molecularF...	C18H24N2O2
chemicalCompound:moleculeId	480486
chemicalCompound:mwFreebase	300.395
chemicalCompound:alogp	2.68
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	44.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.072
chemicalCompound:acdLogD	0.188
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	300.395
chemicalCompound:acdMostBpk...	9.262
chemicalCompound:chemblId	CHEMBL467513
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580486
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:2522746, activity:2522773, activity:2522797, activity:2522817