184435

Source:http://linkedlifedata.com/resource/chembl/compound/184435

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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/C21H22O4/c1-2-3-4-5-12-24-17-10-11-18-20(13-17)25-14-19(21(18)23)15-6-8-16(22)9-7-15/h6-11,13-14,22H,2-5,12H2,1H3
chemicalCompound:standardIn...	UDDYOFMACJTBDF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCOc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
chemicalCompound:molecularF...	C21H22O4
chemicalCompound:moleculeId	184435
chemicalCompound:mwFreebase	338.397
chemicalCompound:alogp	4.849
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.76
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.645
chemicalCompound:acdLogP	5.723
chemicalCompound:acdLogD	5.721
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	338.397
chemicalCompound:chemblId	CHEMBL110472
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284435
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:787344, activity:787345, activity:2560264, activity:3402315, activity:3403359, activity:3403374