187

Source:http://linkedlifedata.com/resource/chembl/compound/187

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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/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
chemicalCompound:standardIn...	WMZTYIRRBCGARG-VIFPVBQESA-N
chemicalCompound:canonicalS...	N[C@@H](CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O
chemicalCompound:molecularF...	C11 H13 N3 O5
chemicalCompound:moleculeId	187
chemicalCompound:mwFreebase	267.238
chemicalCompound:alogp	-2.41
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	138.24
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.206
chemicalCompound:acdLogP	0.543
chemicalCompound:acdLogD	-1.963
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	267.238
chemicalCompound:acdMostBpk...	9.276
chemicalCompound:chemblId	CHEMBL6251
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100187
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:316519, activity:316520, activity:316521, activity:316522, activity:316523, activity:316524