48189

Source:http://linkedlifedata.com/resource/chembl/compound/48189

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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/C22H27NO4/c1-12-10-22(25)16-9-14-5-6-15(26-2)19-17(14)21(22,20(27-19)18(12)24)7-8-23(16)11-13-3-4-13/h5-6,12-13,16,20,25H,3-4,7-11H2,1-2H3/t12-,16?,20?,21?,22?/m0/s1
chemicalCompound:standardIn...	PAALMPCHQXIBEW-SHYZRESLSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)C(=O)[C@@H](C)CC36O
chemicalCompound:molecularF...	C22 H27 N O4
chemicalCompound:moleculeId	48189
chemicalCompound:mwFreebase	369.454
chemicalCompound:alogp	2.345
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.151
chemicalCompound:acdLogP	3.024
chemicalCompound:acdLogD	2.572
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.454
chemicalCompound:acdMostBpk...	7.503
chemicalCompound:chemblId	CHEMBL35299
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148189
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:854681, activity:854682