755095

Source:http://linkedlifedata.com/resource/chembl/compound/755095

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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/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
chemicalCompound:standardIn...	WUGANDSUVKXMEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c3ccccc3c1O
chemicalCompound:molecularF...	C18H14BrNO5S2
chemicalCompound:moleculeId	755095
chemicalCompound:mwFreebase	468.341
chemicalCompound:alogp	3.755
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	137.38
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.408
chemicalCompound:acdLogP	4.814
chemicalCompound:acdLogD	1.048
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	468.341
chemicalCompound:chemblId	CHEMBL1331211
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:855095
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:3657186, activity:3807701, activity:3853352, activity:3906918, activity:4200643, activity:4281891, activity:4293578, activity:4305676, activity:4325671, activity:4363429, activity:4371566, activity:4414186, activity:4436472, activity:4587895, activity:4708122, activity:4849879, activity:4917772, activity:4926797, activity:5021186, activity:5359655, activity:5457524, activity:5520543, activity:5537553, activity:5619351, activity:5732270, activity:5778776, activity:5828993, activity:5924914, activity:6435253, activity:6588589, activity:6612687, activity:6757851, activity:6797594, activity:6850467, activity:6862727, activity:6883146, activity:6914709, activity:7004249, activity:7034592, activity:7047262, activity:7063147, activity:7071194, activity:7202579, activity:7211642, activity:7284283, activity:7426411, activity:7439643, activity:7449893, activity:9791471, activity:9967554, activity:9987460, activity:10033164, activity:10410669, activity:10426814, activity:10429531, activity:10433566