422130

Source:http://linkedlifedata.com/resource/chembl/compound/422130

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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/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
chemicalCompound:standardIn...	JUDXBTMVZVWJNP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2OC(=O)C(=Cc2c1)CCC(=O)NO
chemicalCompound:molecularF...	C13 H13 N O5
chemicalCompound:moleculeId	422130
chemicalCompound:mwFreebase	263.246
chemicalCompound:alogp	1.349
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	84.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.202
chemicalCompound:acdLogP	0.965
chemicalCompound:acdLogD	0.958
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.246
chemicalCompound:chemblId	CHEMBL402990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522130
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:2071120, activity:2071126, activity:2071132, activity:2071137, activity:2071143