69410

Source:http://linkedlifedata.com/resource/chembl/compound/69410

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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/C14H16N2O5/c1-9(17)10-3-5-11(6-4-10)16-8-12(21-14(16)19)7-15-13(18)20-2/h3-6,12H,7-8H2,1-2H3,(H,15,18)/t12-/m0/s1
chemicalCompound:standardIn...	LOEBDBWOTLHBKD-LBPRGKRZSA-N
chemicalCompound:canonicalS...	COC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)C(=O)C
chemicalCompound:molecularF...	C14 H16 N2 O5
chemicalCompound:moleculeId	69410
chemicalCompound:mwFreebase	292.287
chemicalCompound:alogp	1.222
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	84.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.693
chemicalCompound:acdLogP	1.059
chemicalCompound:acdLogD	1.059
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.287
chemicalCompound:chemblId	CHEMBL47905
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:169410
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:1007653, activity:1007654