446024

Source:http://linkedlifedata.com/resource/chembl/compound/446024

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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/C32H50O3/c1-21(34)35-26-12-13-29(6)24(28(26,4)5)11-14-31(8)25(29)10-9-22-23-19-27(2,3)15-17-32(23,20-33)18-16-30(22,31)7/h9,20,23-26H,10-19H2,1-8H3/t23-,24-,25+,26-,29-,30+,31+,32+/m0/s1
chemicalCompound:standardIn...	UPACPHKOSSOYIY-NEIIXNPVSA-N
chemicalCompound:canonicalS...	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C=O)C1(C)C
chemicalCompound:molecularF...	C32H50O3
chemicalCompound:moleculeId	446024
chemicalCompound:mwFreebase	482.738
chemicalCompound:alogp	6.848
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	43.37
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	9.552
chemicalCompound:acdLogD	9.552
chemicalCompound:fullMwt	482.738
chemicalCompound:chemblId	CHEMBL487609
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:546024
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:2175301, activity:2175318, activity:2175335, activity:2175352, activity:2175369, activity:2175387, activity:2175404, activity:2175420, activity:2175435