189

Source:http://linkedlifedata.com/resource/chembl/compound/189

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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:1049517
chemicalCompound:standardIn...	InChI=1S/C10H12N4O5.ClH/c11-8(9(15)16)5-12-10(17)13-6-1-3-7(4-2-6)14(18)19;/h1-4,8H,5,11H2,(H,15,16)(H2,12,13,17);1H/t8-;/m0./s1
chemicalCompound:standardIn...	KPKQOLNYYNTYFV-QRPNPIFTSA-N
chemicalCompound:canonicalS...	Cl.N[C@@H](CNC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)O
chemicalCompound:molecularF...	C10H13ClN4O5
chemicalCompound:moleculeId	189
chemicalCompound:mwFreebase	268.226
chemicalCompound:alogp	-2.851
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	150.26
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.042
chemicalCompound:acdLogP	0.695
chemicalCompound:acdLogD	-1.834
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	304.687
chemicalCompound:acdMostBpk...	8.748
chemicalCompound:chemblId	CHEMBL263074
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100189
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:312879, activity:312880, activity:312881, activity:312882, activity:312883, activity:312884, activity:312885, activity:312886