50956

Source:http://linkedlifedata.com/resource/chembl/compound/50956

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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/C21H20N4O3S/c1-28-20-12-14(25-29(2,26)27)8-10-18(20)24-21-15-5-3-4-6-17(15)23-19-11-13(22)7-9-16(19)21/h3-12,25H,22H2,1-2H3,(H,23,24)
chemicalCompound:standardIn...	LXDSICMNXVGBMG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4cc(N)ccc24
chemicalCompound:molecularF...	C21 H20 N4 O3 S
chemicalCompound:moleculeId	50956
chemicalCompound:mwFreebase	408.473
chemicalCompound:alogp	3.051
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	114.72
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.198
chemicalCompound:acdLogP	2.642
chemicalCompound:acdLogD	1.474
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	408.473
chemicalCompound:acdMostBpk...	10.258
chemicalCompound:chemblId	CHEMBL290766
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:150956
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:845579, activity:918613, activity:918614, activity:918615, activity:918616, activity:918617, activity:1062179, activity:1062180, activity:1062181, activity:1083022, activity:1083023, activity:1083024, activity:1083025, activity:1083026, activity:1083027, activity:1200756, activity:1200757, activity:1200758