832317

Source:http://linkedlifedata.com/resource/chembl/compound/832317

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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/C19H21N3O6/c1-19(2)17(21(25)26)15(11-3-7-13(23)8-4-11)20-16(18(19)22(27)28)12-5-9-14(24)10-6-12/h3-10,15-18,20,23-24H,1-2H3
chemicalCompound:standardIn...	ONVZBPNGXVPCMU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)C(C(NC(C1[N+](=O)[O-])c2ccc(O)cc2)c3ccc(O)cc3)[N+](=O)[O-]
chemicalCompound:molecularF...	C19H21N3O6
chemicalCompound:moleculeId	832317
chemicalCompound:mwFreebase	387.387
chemicalCompound:alogp	3.534
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	144.13
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.217
chemicalCompound:acdLogP	3.999
chemicalCompound:acdLogD	2.691
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	387.387
chemicalCompound:acdMostBpk...	3.62
chemicalCompound:chemblId	CHEMBL1408433
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:932317
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:4187937, activity:4647392, activity:5330960, activity:7512061