194411

Source:http://linkedlifedata.com/resource/chembl/compound/194411

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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/C8H12N2O5/c9-5(8(13)14)3-6-4(1-2-11)7(12)10-15-6/h5,11H,1-3,9H2,(H,10,12)(H,13,14)
chemicalCompound:standardIn...	CVWFNOOFUKENMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(Cc1onc(O)c1CCO)C(=O)O
chemicalCompound:molecularF...	C8 H12 N2 O5
chemicalCompound:moleculeId	194411
chemicalCompound:mwFreebase	216.191
chemicalCompound:alogp	-3.132
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	129.81
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.003
chemicalCompound:acdLogP	-1.075
chemicalCompound:acdLogD	-3.702
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	216.191
chemicalCompound:acdMostBpk...	8.639
chemicalCompound:chemblId	CHEMBL325291
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294411
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:1240619, activity:1240620, activity:1240621, activity:1240622, activity:1240623