796208

Source:http://linkedlifedata.com/resource/chembl/compound/796208

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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/C23H23NO5/c1-3-27-19-12-10-18(11-13-19)21(29-23(26)20-5-4-14-28-20)22(25)24-15-17-8-6-16(2)7-9-17/h4-14,21H,3,15H2,1-2H3,(H,24,25)
chemicalCompound:standardIn...	KHJNJEBHRCPLRY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)C(OC(=O)c2occc2)C(=O)NCc3ccc(C)cc3
chemicalCompound:molecularF...	C23H23NO5
chemicalCompound:moleculeId	796208
chemicalCompound:mwFreebase	393.432
chemicalCompound:alogp	4.261
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.77
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.343
chemicalCompound:acdLogP	4.69
chemicalCompound:acdLogD	4.69
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.432
chemicalCompound:chemblId	CHEMBL1372324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:896208
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:4695034, activity:4819919, activity:5495364, activity:6526236, activity:6853538, activity:7168590