240136

Source:http://linkedlifedata.com/resource/chembl/compound/240136

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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/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-7-6-12(17)9-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3
chemicalCompound:standardIn...	PZJLHERKOVBRSK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=CCCC1(C)CC(O)c2ccc(O)cc2O1)C
chemicalCompound:molecularF...	C16 H22 O3
chemicalCompound:moleculeId	240136
chemicalCompound:mwFreebase	262.344
chemicalCompound:alogp	3.353
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	49.69
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.839
chemicalCompound:acdLogP	3.538
chemicalCompound:acdLogD	3.537
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.344
chemicalCompound:chemblId	CHEMBL143015
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:340136
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:1290381, activity:1290382, activity:1290383, activity:1290384, activity:1290385, activity:1290386, activity:1290387, activity:1290388