38440

Source:http://linkedlifedata.com/resource/chembl/compound/38440

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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/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
chemicalCompound:standardIn...	KUFFULVDNCHOFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(O)c(C)c1
chemicalCompound:molecularF...	C8 H10 O
chemicalCompound:moleculeId	38440
chemicalCompound:mwFreebase	122.164
chemicalCompound:alogp	2.56
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.613
chemicalCompound:acdLogP	2.496
chemicalCompound:acdLogD	2.496
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	122.164
chemicalCompound:chemblId	CHEMBL29878
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:138440
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:591219, activity:591220, activity:992840, activity:1506068, activity:1845332, activity:1879174, activity:1879298, activity:1879299, activity:1879420, activity:1879481, activity:1879616, activity:3927191, activity:4284149, activity:4633783, activity:4670741, activity:4723449, activity:4822686, activity:6434892, activity:6447114, activity:6750610, activity:6962226, activity:7050700, activity:7062848, activity:7442706