124506

Source:http://linkedlifedata.com/resource/chembl/compound/124506

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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/C21H32O4/c1-19-8-6-14(23)10-13(19)2-3-15-16(19)7-9-20-12-25-21(24,11-22)18(20)5-4-17(15)20/h13,15-18,22,24H,2-12H2,1H3
chemicalCompound:standardIn...	KNHVHGMWDMNAQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC12CCC(=O)CC1CCC3C2CCC45COC(O)(CO)C4CCC35
chemicalCompound:molecularF...	C21 H32 O4
chemicalCompound:moleculeId	124506
chemicalCompound:mwFreebase	348.476
chemicalCompound:alogp	2.143
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.199
chemicalCompound:acdLogP	3.034
chemicalCompound:acdLogD	3.034
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.476
chemicalCompound:chemblId	CHEMBL312654
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224506
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:141361, activity:141362