1050484

Source:http://linkedlifedata.com/resource/chembl/compound/1050484

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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/C29H46O3/c1-29-17-16-25-24-13-12-23(31)20-22(24)19-21(28(25)26(29)14-15-27(29)32)11-9-7-5-3-2-4-6-8-10-18-30/h12-13,20-21,25-28,30-32H,2-11,14-19H2,1H3/t21-,25-,26+,27+,28-,29+/m1/s1
chemicalCompound:standardIn...	JGEUAWIQQPNGCZ-LIHJZYAESA-N
chemicalCompound:canonicalS...	C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCCCO)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
chemicalCompound:molecularF...	C29H46O3
chemicalCompound:moleculeId	1050484
chemicalCompound:mwFreebase	442.674
chemicalCompound:alogp	7.426
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.275
chemicalCompound:acdLogP	7.869
chemicalCompound:acdLogD	7.869
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.674
chemicalCompound:chemblId	CHEMBL1627593
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1150484
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:350475, activity:350476, activity:350477, activity:350478, activity:350479