500345

Source:http://linkedlifedata.com/resource/chembl/compound/500345

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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/C28H28N2O4/c1-18(2)30-25(31)27(19-10-14-21(33-4)15-11-19,20-12-16-22(34-5)17-13-20)28(30)23-8-6-7-9-24(23)29(3)26(28)32/h6-18H,1-5H3
chemicalCompound:standardIn...	OXJSDALCSIQGFH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2(C(=O)N(C(C)C)C23C(=O)N(C)c4ccccc34)c5ccc(OC)cc5
chemicalCompound:molecularF...	C28H28N2O4
chemicalCompound:moleculeId	500345
chemicalCompound:mwFreebase	456.533
chemicalCompound:alogp	3.845
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	59.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.115
chemicalCompound:acdLogD	5.115
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.533
chemicalCompound:chemblId	CHEMBL519480
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:600345
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:2307623, activity:2307630, activity:2307639, activity:2307648