32444

Source:http://linkedlifedata.com/resource/chembl/compound/32444

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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/C18H20O3/c1-3-17(13-4-8-15(20)9-5-13)18(12(2)19)14-6-10-16(21)11-7-14/h4-11,17-18,20-21H,3H2,1-2H3/t17-,18+/m1/s1
chemicalCompound:standardIn...	HNQLJUUKIAVRLQ-MSOLQXFVSA-N
chemicalCompound:canonicalS...	CC[C@@H]([C@@H](C(=O)C)c1ccc(O)cc1)c2ccc(O)cc2
chemicalCompound:molecularF...	C18 H20 O3
chemicalCompound:moleculeId	32444
chemicalCompound:mwFreebase	284.35
chemicalCompound:alogp	3.77
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.644
chemicalCompound:acdLogP	3.164
chemicalCompound:acdLogD	3.16
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	284.35
chemicalCompound:chemblId	CHEMBL26351
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:132444
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:1060134