32257

Source:http://linkedlifedata.com/resource/chembl/compound/32257

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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/C19H22O3/c1-3-18(14-4-8-16(21)9-5-14)19(12-13(2)20)15-6-10-17(22)11-7-15/h4-11,18-19,21-22H,3,12H2,1-2H3/t18-,19+/m1/s1
chemicalCompound:standardIn...	LXWZXSRNQUKHLG-MOPGFXCFSA-N
chemicalCompound:canonicalS...	CC[C@@H]([C@@H](CC(=O)C)c1ccc(O)cc1)c2ccc(O)cc2
chemicalCompound:molecularF...	C19 H22 O3
chemicalCompound:moleculeId	32257
chemicalCompound:mwFreebase	298.376
chemicalCompound:alogp	4.015
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.952
chemicalCompound:acdLogP	3.378
chemicalCompound:acdLogD	3.376
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.376
chemicalCompound:chemblId	CHEMBL25134
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:132257
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:1046766