1159778

Source:http://linkedlifedata.com/resource/chembl/compound/1159778

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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/C19H17N3O4S/c1-20-19(23)18-13-16(11-12-21-18)26-15-9-7-14(8-10-15)22-27(24,25)17-5-3-2-4-6-17/h2-13,22H,1H3,(H,20,23)
chemicalCompound:standardIn...	AUUBJPHZBKJLMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccn1
chemicalCompound:molecularF...	C19H17N3O4S
chemicalCompound:moleculeId	1159778
chemicalCompound:mwFreebase	383.421
chemicalCompound:alogp	2.363
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	105.76
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.163
chemicalCompound:acdLogP	1.846
chemicalCompound:acdLogD	1.786
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.421
chemicalCompound:acdMostBpk...	2.766
chemicalCompound:chemblId	CHEMBL1796726
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259778
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:6255367