466688

Source:http://linkedlifedata.com/resource/chembl/compound/466688

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:466688_PHENOL A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C11H16O3/c1-6(8(3)12)10-4-9(13)5-11(14)7(10)2/h4-6,8,12-14H,1-3H3/t6-,8-/m1/s1
chemicalCompound:standardIn...	ZYUVGYBAPZYKSA-HTRCEHHLSA-N
chemicalCompound:canonicalS...	C[C@H](O)[C@H](C)c1cc(O)cc(O)c1C
chemicalCompound:molecularF...	C11H16O3
chemicalCompound:moleculeId	466688
chemicalCompound:mwFreebase	196.243
chemicalCompound:alogp	2.245
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.072
chemicalCompound:acdLogP	0.853
chemicalCompound:acdLogD	0.851
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	196.243
chemicalCompound:chemblId	CHEMBL444472
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566688
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PHENOL A
chemicalCompound:activity	activity:2212663, activity:6347371, activity:6347387, activity:6347403