214461

Source:http://linkedlifedata.com/resource/chembl/compound/214461

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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/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15?,16?,17-,18?/m0/s1
chemicalCompound:standardIn...	PUQSDJZESAQGQS-DFQJWARBSA-N
chemicalCompound:canonicalS...	CC12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@H]2O
chemicalCompound:molecularF...	C18 H24 O2
chemicalCompound:moleculeId	214461
chemicalCompound:mwFreebase	272.382
chemicalCompound:alogp	3.211
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.231
chemicalCompound:acdLogD	3.231
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	272.382
chemicalCompound:chemblId	CHEMBL128849
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:314461
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:557154, activity:557155, activity:557156, activity:557157, activity:557158, activity:848446, activity:848447