490183

Source:http://linkedlifedata.com/resource/chembl/compound/490183

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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/C17H18O6/c1-22-16-12-4-3-11(18)7-15(12)23-9-17(16,21)8-10-2-5-13(19)14(20)6-10/h2-7,16,18-21H,8-9H2,1H3/t16-,17+/m0/s1
chemicalCompound:standardIn...	HHDPKXQKOWHDNA-DLBZAZTESA-N
chemicalCompound:canonicalS...	CO[C@H]1c2ccc(O)cc2OC[C@]1(O)Cc3ccc(O)c(O)c3
chemicalCompound:molecularF...	C17H18O6
chemicalCompound:moleculeId	490183
chemicalCompound:mwFreebase	318.321
chemicalCompound:alogp	1.989
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	99.38
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.678
chemicalCompound:acdLogP	1.046
chemicalCompound:acdLogD	1.04
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.321
chemicalCompound:chemblId	CHEMBL477780
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:590183
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:2559964, activity:2559990, activity:2560016, activity:2560042, activity:2560068, activity:2560094, activity:2560115