603944

Source:http://linkedlifedata.com/resource/chembl/compound/603944

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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/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
chemicalCompound:standardIn...	QGEDDOSZYQFMIT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OS(=O)(=O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
chemicalCompound:molecularF...	C18H17N3O3S
chemicalCompound:moleculeId	603944
chemicalCompound:mwFreebase	355.411
chemicalCompound:alogp	4.285
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	98.84
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.459
chemicalCompound:acdLogP	1.623
chemicalCompound:acdLogD	-1.876
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	355.411
chemicalCompound:acdMostBpk...	4.005
chemicalCompound:chemblId	CHEMBL597979
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:703944
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:3100174, activity:3100188, activity:3100206, activity:3100216, activity:3100232, activity:3100236, activity:3100237