64301

Source:http://linkedlifedata.com/resource/chembl/compound/64301

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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/C12H15FN2O5/c1-6-4-15(12(18)14-11(6)17)10-3-8(13)9(20-10)5-19-7(2)16/h4,8-10H,3,5H2,1-2H3,(H,14,17,18)
chemicalCompound:standardIn...	YHHMPZAORRCRSI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)OCC1OC(CC1F)N2C=C(C)C(=O)NC2=O
chemicalCompound:molecularF...	C12 H15 F N2 O5
chemicalCompound:moleculeId	64301
chemicalCompound:mwFreebase	286.256
chemicalCompound:alogp	0.081
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	84.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	0.35
chemicalCompound:acdLogD	0.347
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.256
chemicalCompound:chemblId	CHEMBL43250
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:164301
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:211499, activity:211500, activity:211501