882109

Source:http://linkedlifedata.com/resource/chembl/compound/882109

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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/C19H21NO4/c1-12(2)23-17-8-6-14(10-18(17)22-4)11-20-15-9-13(3)5-7-16(15)24-19(20)21/h5-10,12H,11H2,1-4H3
chemicalCompound:standardIn...	IPRVWMILZGTUJG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CN2C(=O)Oc3ccc(C)cc23)ccc1OC(C)C
chemicalCompound:molecularF...	C19H21NO4
chemicalCompound:moleculeId	882109
chemicalCompound:mwFreebase	327.374
chemicalCompound:alogp	4.309
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	48
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.732
chemicalCompound:acdLogD	3.732
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.374
chemicalCompound:chemblId	CHEMBL1458225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982109
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:3621530, activity:3738964, activity:3861880, activity:3924683, activity:4434154, activity:4463316, activity:4525311, activity:4619501, activity:4948322, activity:5061615, activity:6556108, activity:6785392