838558

Source:http://linkedlifedata.com/resource/chembl/compound/838558

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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/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3
chemicalCompound:standardIn...	RYMZZMVNJRMUDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
chemicalCompound:molecularF...	C25H38O5
chemicalCompound:moleculeId	838558
chemicalCompound:mwFreebase	418.566
chemicalCompound:alogp	4.634
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.494
chemicalCompound:acdLogP	4.723
chemicalCompound:acdLogD	4.723
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.566
chemicalCompound:chemblId	CHEMBL1414674
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:938558
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:3731545, activity:3868913, activity:3978601, activity:4161316, activity:4703594, activity:4759653, activity:4860018, activity:4949280, activity:5078629, activity:6431091, activity:7552451