21782

Source:http://linkedlifedata.com/resource/chembl/compound/21782

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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/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
chemicalCompound:standardIn...	GXFXMBTYRNXLMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(C)c2ccc(OCc3ccc(C)cc3)cc2OC1=O
chemicalCompound:molecularF...	C19 H18 O3
chemicalCompound:moleculeId	21782
chemicalCompound:mwFreebase	294.344
chemicalCompound:alogp	4.845
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	35.53
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.702
chemicalCompound:acdLogD	4.702
chemicalCompound:fullMwt	294.344
chemicalCompound:chemblId	CHEMBL18966
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121782
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:90165, activity:90166, activity:259117, activity:259118, activity:464724, activity:464725, activity:464726, activity:1773835, activity:1773895