266706

Source:http://linkedlifedata.com/resource/chembl/compound/266706

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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/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
chemicalCompound:standardIn...	WTWBUQJHJGUZCY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(C=O)cc1
chemicalCompound:molecularF...	C10H12O
chemicalCompound:moleculeId	266706
chemicalCompound:mwFreebase	148.202
chemicalCompound:alogp	2.783
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.211
chemicalCompound:acdLogD	3.211
chemicalCompound:fullMwt	148.202
chemicalCompound:chemblId	CHEMBL161577
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:366706
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	CUMINALDEHYDE
chemicalCompound:activity	activity:355135, activity:1941590, activity:1941729, activity:3218682