960789

Source:http://linkedlifedata.com/resource/chembl/compound/960789

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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/C18H24N2O3/c1-13-3-4-16-15(11-17(22)23-18(16)14(13)2)12-20-7-5-19(6-8-20)9-10-21/h3-4,11,21H,5-10,12H2,1-2H3
chemicalCompound:standardIn...	WUYMVPQVSJNPMM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc2C(=CC(=O)Oc2c1C)CN3CCN(CCO)CC3
chemicalCompound:molecularF...	C18H24N2O3
chemicalCompound:moleculeId	960789
chemicalCompound:mwFreebase	316.395
chemicalCompound:alogp	2.323
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	53.01
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.738
chemicalCompound:acdLogD	1.525
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.395
chemicalCompound:acdMostBpk...	6.903
chemicalCompound:chemblId	CHEMBL1536905
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060789
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:3716312, activity:4109124, activity:4205301, activity:4305080, activity:4396525, activity:4415738, activity:6619452, activity:7294465, activity:7537505