295766

Source:http://linkedlifedata.com/resource/chembl/compound/295766

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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:1223
chemicalCompound:standardIn...	InChI=1S/C18H14N4O5S.Na/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17;/h1-11,23H,(H,19,22)(H,24,25);/q;+1/p-1
chemicalCompound:standardIn...	RDHFCNKNCNJWHC-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].Oc1ccc(cc1C(=O)[O-])N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3
chemicalCompound:molecularF...	C18 H13 N4 O5 S . Na
chemicalCompound:moleculeId	295766
chemicalCompound:mwFreebase	398.393
chemicalCompound:alogp	3.463
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	149.69
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.885
chemicalCompound:acdLogP	3.051
chemicalCompound:acdLogD	-0.099
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	420.374
chemicalCompound:acdMostBpk...	0.746
chemicalCompound:chemblId	CHEMBL175659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395766
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:876254, activity:876255, activity:876256, activity:876257, activity:876258, activity:876259, activity:876260, activity:876261, activity:876262, activity:876263, activity:876264, activity:876265, activity:876266, activity:876267, activity:876268, activity:876269, activity:876270, activity:876271, activity:876272, activity:876273, activity:876274