463797

Source:http://linkedlifedata.com/resource/chembl/compound/463797

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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/C30H50O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,16,18-25,31-35H,9-15H2,1-7H3/t18-,19-,20+,21+,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1
chemicalCompound:standardIn...	KJXUHHARWYEHNL-ZEUDKGLNSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H]1C[C@@H](O)[C@@H]2[C@@]3(C)CC=C4[C@@H]([C@@H](O)C[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]45C)[C@]3(C)CC[C@@]12CO
chemicalCompound:molecularF...	C30H50O5
chemicalCompound:moleculeId	463797
chemicalCompound:mwFreebase	490.715
chemicalCompound:alogp	2.952
chemicalCompound:hba	5
chemicalCompound:hbd	5
chemicalCompound:psa	101.15
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.325
chemicalCompound:acdLogD	3.325
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	490.715
chemicalCompound:chemblId	CHEMBL469280
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:563797
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:2434129, activity:2434149, activity:2434169, activity:2434180, activity:2435223, activity:2435238