312126

Source:http://linkedlifedata.com/resource/chembl/compound/312126

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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/C20H21NO5/c1-11-18(14-7-6-13(23-2)10-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
chemicalCompound:standardIn...	ABDLPIQRPBGQPA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1
chemicalCompound:molecularF...	C20 H21 N O5
chemicalCompound:moleculeId	312126
chemicalCompound:mwFreebase	355.384
chemicalCompound:alogp	3.607
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	69.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.408
chemicalCompound:acdLogD	2.408
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.384
chemicalCompound:chemblId	CHEMBL363063
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:412126
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:1461997, activity:1461998, activity:1461999, activity:1462000, activity:1462001, activity:1462002