191

Source:http://linkedlifedata.com/resource/chembl/compound/191

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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:1049524
chemicalCompound:standardIn...	InChI=1S/C12H15N3O5.ClH/c1-20-12(17)10(13)6-7-11(16)14-8-2-4-9(5-3-8)15(18)19;/h2-5,10H,6-7,13H2,1H3,(H,14,16);1H/t10-;/m0./s1
chemicalCompound:standardIn...	CHFLGKQWUSPWSQ-PPHPATTJSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)[C@@H](N)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
chemicalCompound:molecularF...	C12H16ClN3O5
chemicalCompound:moleculeId	191
chemicalCompound:mwFreebase	281.265
chemicalCompound:alogp	0.295
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	127.24
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.506
chemicalCompound:acdLogP	1.117
chemicalCompound:acdLogD	0.984
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	317.726
chemicalCompound:acdMostBpk...	6.908
chemicalCompound:chemblId	CHEMBL6285
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100191
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:314201, activity:314202, activity:314203, activity:314204, activity:314205, activity:314206