147151

Source:http://linkedlifedata.com/resource/chembl/compound/147151

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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/C38H48O5/c1-35(2,3)26-16-21(17-27(32(26)41)36(4,5)6)15-25-31(40)24-14-13-23(39)20-30(24)43-34(25)22-18-28(37(7,8)9)33(42)29(19-22)38(10,11)12/h13-20,34,39,41-42H,1-12H3/b25-15+
chemicalCompound:standardIn...	DMKQUILUGIGHIL-MFKUBSTISA-N
chemicalCompound:canonicalS...	CC(C)(C)c1cc(\C=C/2\C(Oc3cc(O)ccc3C2=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
chemicalCompound:molecularF...	C38 H48 O5
chemicalCompound:moleculeId	147151
chemicalCompound:mwFreebase	584.785
chemicalCompound:alogp	9.887
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	86.99
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.526
chemicalCompound:acdLogP	6.54
chemicalCompound:acdLogD	6.275
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	584.785
chemicalCompound:chemblId	CHEMBL90863
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:247151
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:1284802, activity:1284803, activity:1284804