402053

Source:http://linkedlifedata.com/resource/chembl/compound/402053

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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/C17H22O3/c1-10-9-13-14(12(10)5-4-8-18)11(2)17(6-7-17)16(3,20)15(13)19/h9,18,20H,4-8H2,1-3H3/t16-/m0/s1
chemicalCompound:standardIn...	CKVNDCBCFHECLF-INIZCTEOSA-N
chemicalCompound:canonicalS...	CC1=C(CCCO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
chemicalCompound:molecularF...	C17 H22 O3
chemicalCompound:moleculeId	402053
chemicalCompound:mwFreebase	274.355
chemicalCompound:alogp	2.151
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.537
chemicalCompound:acdLogP	1.747
chemicalCompound:acdLogD	1.747
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.355
chemicalCompound:chemblId	CHEMBL393438
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:502053
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:2004807, activity:2004812