421441

Source:http://linkedlifedata.com/resource/chembl/compound/421441

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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/C21H16O6/c1-21(2)6-5-12-15(27-21)8-17-18(19(12)22)20(23)13(9-24-17)11-3-4-14-16(7-11)26-10-25-14/h3-9,22H,10H2,1-2H3
chemicalCompound:standardIn...	KGSSUTVUTPLSQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)Oc2cc3OC=C(C(=O)c3c(O)c2C=C1)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C21 H16 O6
chemicalCompound:moleculeId	421441
chemicalCompound:mwFreebase	364.348
chemicalCompound:alogp	3.18
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	74.22
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.197
chemicalCompound:acdLogP	5.725
chemicalCompound:acdLogD	4.501
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	364.348
chemicalCompound:chemblId	CHEMBL252722
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:521441
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	ROBUSTONE
chemicalCompound:activity	activity:2062335, activity:4025944, activity:4517068, activity:4822697, activity:4862117, activity:4949229, activity:5078578