953169

Source:http://linkedlifedata.com/resource/chembl/compound/953169

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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/C25H21FN2O4S/c26-22-7-2-1-4-20(22)24-19-6-3-5-18(19)21-14-17(12-13-23(21)27-24)33(31,32)28-16-10-8-15(9-11-16)25(29)30/h1-5,7-14,18-19,24,27-28H,6H2,(H,29,30)
chemicalCompound:standardIn...	CTTOGPAAVKCXEG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c5ccccc5F)cc1
chemicalCompound:molecularF...	C25H21FN2O4S
chemicalCompound:moleculeId	953169
chemicalCompound:mwFreebase	464.509
chemicalCompound:alogp	4.315
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	103.88
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.073
chemicalCompound:acdLogP	5.922
chemicalCompound:acdLogD	2.968
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	464.509
chemicalCompound:acdMostBpk...	0.038
chemicalCompound:chemblId	CHEMBL1529285
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1053169
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:3628527, activity:3675969, activity:3794784, activity:3946568, activity:4022166, activity:4143579, activity:4277658, activity:4295382, activity:4303936, activity:4362186, activity:4501916, activity:4558336, activity:4622754, activity:4721892, activity:4734861, activity:4879694, activity:4934588, activity:4990313, activity:5030490, activity:5372420, activity:5514916, activity:5530916, activity:5541105, activity:5567740, activity:5572681, activity:5693755, activity:5751684, activity:5823828, activity:5852425, activity:5868314, activity:5981908, activity:5986362, activity:6426418, activity:6453217, activity:6510740, activity:6724923, activity:6842391, activity:6884974, activity:6956761, activity:6974109, activity:7071274, activity:7074454, activity:7393377, activity:8609532, activity:10221486