27730

Source:http://linkedlifedata.com/resource/chembl/compound/27730

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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/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
chemicalCompound:standardIn...	XHQZJYCNDZAGLW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)C(=O)O
chemicalCompound:molecularF...	C8H8O3
chemicalCompound:moleculeId	27730
chemicalCompound:mwFreebase	152.147
chemicalCompound:alogp	1.443
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.082
chemicalCompound:acdLogP	1.655
chemicalCompound:acdLogD	-1.27
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	152.147
chemicalCompound:chemblId	CHEMBL22425
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:127730
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:42074, activity:249949, activity:249950, activity:249951, activity:249952, activity:249953, activity:334474, activity:334475, activity:981441, activity:1253646, activity:1941581, activity:1941738, activity:2617477, activity:2617540