199

Source:http://linkedlifedata.com/resource/chembl/compound/199

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1049613
chemicalCompound:standardIn...	InChI=1S/C11H14N4O5.ClH/c1-20-10(16)9(12)6-13-11(17)14-7-2-4-8(5-3-7)15(18)19;/h2-5,9H,6,12H2,1H3,(H2,13,14,17);1H/t9-;/m0./s1
chemicalCompound:standardIn...	AEBBOZYZDNRCHF-FVGYRXGTSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)[C@@H](N)CNC(=O)Nc1ccc(cc1)[N+](=O)[O-]
chemicalCompound:molecularF...	C11H15ClN4O5
chemicalCompound:moleculeId	199
chemicalCompound:mwFreebase	282.253
chemicalCompound:alogp	-0.146
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	139.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.565
chemicalCompound:acdLogP	0.756
chemicalCompound:acdLogD	0.737
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.714
chemicalCompound:acdMostBpk...	5.869
chemicalCompound:chemblId	CHEMBL6300
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100199
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:311534, activity:311535, activity:311536, activity:311537, activity:311538, activity:311539