195296

Source:http://linkedlifedata.com/resource/chembl/compound/195296

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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/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4-
chemicalCompound:standardIn...	UQIWTPQGJCCTPA-PLNGDYQASA-N
chemicalCompound:canonicalS...	COc1cc(OC)cc(\C=C/c2ccc(OC)c(O)c2)c1
chemicalCompound:molecularF...	C17H18O4
chemicalCompound:moleculeId	195296
chemicalCompound:mwFreebase	286.322
chemicalCompound:alogp	3.525
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	47.92
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.685
chemicalCompound:acdLogP	3.839
chemicalCompound:acdLogD	3.837
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.322
chemicalCompound:chemblId	CHEMBL116888
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:295296
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:109347, activity:109348, activity:109349, activity:109350, activity:109351, activity:2388161, activity:2388166, activity:2388187