888449

Source:http://linkedlifedata.com/resource/chembl/compound/888449

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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/C11H11N3O6/c15-10(16)6-5-9(11(17)18)13-12-7-1-3-8(4-2-7)14(19)20/h1-4,12H,5-6H2,(H,15,16)(H,17,18)
chemicalCompound:standardIn...	JCSHJOVLJPJVLY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCC(=NNc1ccc(cc1)[N+](=O)[O-])C(=O)O
chemicalCompound:molecularF...	C11H11N3O6
chemicalCompound:moleculeId	888449
chemicalCompound:mwFreebase	281.222
chemicalCompound:alogp	1.27
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	144.81
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-3.213
chemicalCompound:acdLogP	0.995
chemicalCompound:acdLogD	-3.749
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	281.222
chemicalCompound:acdMostBpk...	3.303
chemicalCompound:chemblId	CHEMBL1464565
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:988449
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:4046881, activity:4318409, activity:4348287, activity:4428336, activity:5562203, activity:6473792, activity:6581343, activity:6664109, activity:7172989, activity:7236505, activity:7446713, activity:7564276