290618

Source:http://linkedlifedata.com/resource/chembl/compound/290618

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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/C18H27NO/c1-4-20-17-13(2)12-16-15(14(17)3)8-11-18(19-16)9-6-5-7-10-18/h12,19H,4-11H2,1-3H3
chemicalCompound:standardIn...	MMUARUHBRZWQSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1c(C)cc2NC3(CCCCC3)CCc2c1C
chemicalCompound:molecularF...	C18 H27 N O
chemicalCompound:moleculeId	290618
chemicalCompound:mwFreebase	273.413
chemicalCompound:alogp	5.188
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.939
chemicalCompound:acdLogD	5.746
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	273.413
chemicalCompound:acdMostBpk...	7.15
chemicalCompound:chemblId	CHEMBL172136
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:390618
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:347299, activity:347300, activity:347301, activity:347302, activity:347303, activity:347304