64210

Source:http://linkedlifedata.com/resource/chembl/compound/64210

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:64210_WY-1047_RESEARCH_CODE, synonym:64210_WY-1107_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C30H50O3/c1-8-30(33,9-2)16-11-12-22(3)18-23(4)29(7)17-15-25(28(29,5)6)14-10-13-24-19-26(31)21-27(32)20-24/h10,13-14,22-23,25-27,31-33H,8-9,12,15,17-21H2,1-7H3/b14-10+/t22?,23?,25-,26-,27-,29-/m1/s1
chemicalCompound:standardIn...	PRHYDXVITVKLAX-KQURCKRPSA-N
chemicalCompound:canonicalS...	CCC(O)(CC)C#CCC(C)CC(C)[C@@]1(C)CC[C@@H](\C=C\C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C
chemicalCompound:molecularF...	C30 H50 O3
chemicalCompound:moleculeId	64210
chemicalCompound:mwFreebase	458.716
chemicalCompound:alogp	6.688
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.123
chemicalCompound:acdLogP	7.683
chemicalCompound:acdLogD	7.683
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.716
chemicalCompound:chemblId	CHEMBL43444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164210
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:761366, activity:761367, activity:761368, activity:761369, activity:761370, activity:781447, activity:781448, activity:781449, activity:781450, activity:781451