183409

Source:http://linkedlifedata.com/resource/chembl/compound/183409

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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/C17H20O3/c1-17-7-6-13-12-5-3-11(18)8-10(12)2-4-14(13)16(17)20-9-15(17)19/h3,5,8,13-14,16,18H,2,4,6-7,9H2,1H3
chemicalCompound:standardIn...	FANDDLFIYCQQPS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC12CCC3C(CCc4cc(O)ccc34)C1OCC2=O
chemicalCompound:molecularF...	C17 H20 O3
chemicalCompound:moleculeId	183409
chemicalCompound:mwFreebase	272.339
chemicalCompound:alogp	2.907
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.192
chemicalCompound:acdLogP	2.144
chemicalCompound:acdLogD	2.143
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	272.339
chemicalCompound:chemblId	CHEMBL109697
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:283409
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:583588