575480

Source:http://linkedlifedata.com/resource/chembl/compound/575480

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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/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1
chemicalCompound:standardIn...	ZRXJDVGAMZQYJX-LBPRGKRZSA-N
chemicalCompound:canonicalS...	COc1cc2OC(=O)C=Cc2cc1[C@@H](O)CC(C)C
chemicalCompound:molecularF...	C15H18O4
chemicalCompound:moleculeId	575480
chemicalCompound:mwFreebase	262.301
chemicalCompound:alogp	2.888
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.896
chemicalCompound:acdLogD	2.896
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.301
chemicalCompound:chemblId	CHEMBL572366
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:675480
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:2949500, activity:2949501, activity:2949502, activity:2949503, activity:2949504, activity:2949505, activity:2949506, activity:2949507, activity:2949508, activity:2949509, activity:2949510, activity:2949511, activity:2949512, activity:2978911, activity:2978932, activity:2978953, activity:2978974, activity:2997064, activity:2997085, activity:2997106, activity:2997127, activity:2997148, activity:2997169, activity:2997190, activity:2997211, activity:2997232, activity:3378438, activity:3378447, activity:3378456, activity:3378461, activity:3605343, activity:3605344, activity:3605357, activity:3605359