454015

Source:http://linkedlifedata.com/resource/chembl/compound/454015

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:454015_Propatylnitrate_INN
chemicalCompound:standardIn...	InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3
chemicalCompound:standardIn...	YZZCJYJBCUJISI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
chemicalCompound:molecularF...	C6H11N3O9
chemicalCompound:moleculeId	454015
chemicalCompound:mwFreebase	269.166
chemicalCompound:alogp	6.612
chemicalCompound:hba	9
chemicalCompound:hbd	0
chemicalCompound:psa	165.14
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.158
chemicalCompound:acdLogD	3.158
chemicalCompound:fullMwt	269.166
chemicalCompound:chemblId	CHEMBL488280
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554015
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PROPATYLNITRATE
chemicalCompound:activity	activity:2589745