444569

Source:http://linkedlifedata.com/resource/chembl/compound/444569

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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/C33H54O8/c1-16-6-11-33(38-15-16)17(2)26-25(41-33)14-22-20-13-24(40-30-29(37)28(36)27(35)18(3)39-30)23-12-19(34)7-9-31(23,4)21(20)8-10-32(22,26)5/h16-30,34-37H,6-15H2,1-5H3/t16-,17+,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m1/s1
chemicalCompound:standardIn...	UJJOTHZQHRLIPY-ZMFXEAAYSA-N
chemicalCompound:canonicalS...	C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@H]7C[C@@H](O)CC[C@]7(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C
chemicalCompound:molecularF...	C33H54O8
chemicalCompound:moleculeId	444569
chemicalCompound:mwFreebase	578.777
chemicalCompound:alogp	2.855
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	117.84
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.034
chemicalCompound:acdLogP	4.894
chemicalCompound:acdLogD	4.894
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	578.777
chemicalCompound:chemblId	CHEMBL505565
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:544569
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:2194530, activity:2194537, activity:2194544, activity:2194551, activity:2318054, activity:2318065, activity:2318076, activity:2318087