798957

Source:http://linkedlifedata.com/resource/chembl/compound/798957

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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/C21H16N2O2S2/c24-27(25,20-14-7-15-26-20)23-21(17-9-2-1-3-10-17)22-19-13-6-11-16-8-4-5-12-18(16)19/h1-15H,(H,22,23)
chemicalCompound:standardIn...	JCCIRKQRLRFNBE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=S(=O)(NC(=Nc1cccc2ccccc12)c3ccccc3)c4cccs4
chemicalCompound:molecularF...	C21H16N2O2S2
chemicalCompound:moleculeId	798957
chemicalCompound:mwFreebase	392.494
chemicalCompound:alogp	4.721
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	95.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.893
chemicalCompound:acdLogP	5.025
chemicalCompound:acdLogD	3.039
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	392.494
chemicalCompound:chemblId	CHEMBL1375073
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:898957
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:4157377, activity:4371881, activity:4388919, activity:4425268, activity:4555786, activity:4628834, activity:4932816, activity:5614668, activity:5732027, activity:6665044, activity:6805959, activity:7082833, activity:7488230, activity:10788377