618773

Source:http://linkedlifedata.com/resource/chembl/compound/618773

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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/C20H30O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-16,21-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14+,15+,16-,18+,19-,20-/m0/s1
chemicalCompound:standardIn...	XWWQJYXCACMZIO-YSMIGFKBSA-N
chemicalCompound:canonicalS...	CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]45[C@H](O)[C@@H](CC[C@@H]34)C(=C)[C@H]5O
chemicalCompound:molecularF...	C20H30O6
chemicalCompound:moleculeId	618773
chemicalCompound:mwFreebase	366.449
chemicalCompound:alogp	-0.187
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	110.38
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.796
chemicalCompound:acdLogP	0.803
chemicalCompound:acdLogD	0.803
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	366.449
chemicalCompound:chemblId	CHEMBL1080423
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:718773
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	ENMENOL
chemicalCompound:activity	activity:3235079, activity:3235091, activity:3235103, activity:3329355, activity:3329379, activity:3329380, activity:3329381, activity:3329382