419378

Source:http://linkedlifedata.com/resource/chembl/compound/419378

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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/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
chemicalCompound:standardIn...	PSZDOEIIIJFCFE-OSQDELBUSA-N
chemicalCompound:canonicalS...	CC1(C)CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]2C1
chemicalCompound:molecularF...	C30H50O2
chemicalCompound:moleculeId	419378
chemicalCompound:mwFreebase	442.717
chemicalCompound:alogp	6.213
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.566
chemicalCompound:acdLogD	8.566
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.717
chemicalCompound:chemblId	CHEMBL400074
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:519378
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ERYTHRODIOL
chemicalCompound:activity	activity:2057515, activity:2057531, activity:2057543, activity:2175300, activity:2175317, activity:2175334, activity:2175351, activity:2175368, activity:2175386, activity:2175403, activity:2175419, activity:2175436, activity:2191013, activity:2191014, activity:2331132, activity:2331142, activity:2331146, activity:2331147, activity:2331148, activity:2432618, activity:2432631, activity:2432643, activity:2432650, activity:2432654, activity:2532635, activity:2532652, activity:2583708, activity:2583709, activity:3214803, activity:3214804, activity:3214805