489719

Source:http://linkedlifedata.com/resource/chembl/compound/489719

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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/C22H28N2O4/c1-24-7-6-13-15(11-23)21(27-4)22(28-5)20-14-10-18(26-3)17(25-2)9-12(14)8-16(24)19(13)20/h9-10,16H,6-8,11,23H2,1-5H3
chemicalCompound:standardIn...	ZDLYJHVQGJQEFG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2CC3N(C)CCc4c(CN)c(OC)c(OC)c(c34)c2cc1OC
chemicalCompound:molecularF...	C22H28N2O4
chemicalCompound:moleculeId	489719
chemicalCompound:mwFreebase	384.469
chemicalCompound:alogp	2.64
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	66.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.207
chemicalCompound:acdLogD	1.146
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.469
chemicalCompound:acdMostBpk...	6.307
chemicalCompound:chemblId	CHEMBL513925
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:589719
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:2577023, activity:2577032, activity:2577041, activity:2577050, activity:2577059, activity:2577068