502617

Source:http://linkedlifedata.com/resource/chembl/compound/502617

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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/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
chemicalCompound:standardIn...	XWMMEBCFHUKHEX-CWFQSGEHSA-N
chemicalCompound:canonicalS...	C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
chemicalCompound:molecularF...	C30H50O
chemicalCompound:moleculeId	502617
chemicalCompound:mwFreebase	426.717
chemicalCompound:alogp	7.403
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	10.557
chemicalCompound:acdLogD	10.557
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.717
chemicalCompound:chemblId	CHEMBL497525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:602617
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:2539656, activity:2539660, activity:2539665, activity:2539668, activity:2539673, activity:2539678, activity:2539683, activity:2539688, activity:2539693, activity:2539698, activity:2539703