1162594

Source:http://linkedlifedata.com/resource/chembl/compound/1162594

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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/C13H11N3O6S/c1-2-21-13(18)22-9-6-4-3-5-8(9)11(17)15-12-14-7-10(23-12)16(19)20/h3-7H,2H2,1H3,(H,14,15,17)
chemicalCompound:standardIn...	PUNHUUKPMKAWFN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]
chemicalCompound:molecularF...	C13H11N3O6S
chemicalCompound:moleculeId	1162594
chemicalCompound:mwFreebase	337.308
chemicalCompound:alogp	2.39
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	151.57
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.194
chemicalCompound:acdLogP	2.908
chemicalCompound:acdLogD	1.741
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	337.308
chemicalCompound:chemblId	CHEMBL1801519
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1262594
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:6273870, activity:6273890, activity:6273915, activity:6273936, activity:6273954, activity:6273965, activity:6273973