751274

Source:http://linkedlifedata.com/resource/chembl/compound/751274

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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/C22H20N2O5S2/c1-2-29-15-9-7-14(8-10-15)13-18-20(26)24(22(30)31-18)12-11-19(25)23-17-6-4-3-5-16(17)21(27)28/h3-10,13H,2,11-12H2,1H3,(H,23,25)(H,27,28)/b18-13-
chemicalCompound:standardIn...	FQGAOUZLMHHXJR-AQTBWJFISA-N
chemicalCompound:canonicalS...	CCOc1ccc(\C=C\2/SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1
chemicalCompound:molecularF...	C22H20N2O5S2
chemicalCompound:moleculeId	751274
chemicalCompound:mwFreebase	456.535
chemicalCompound:alogp	3.894
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	153.33
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.407
chemicalCompound:acdLogP	4.097
chemicalCompound:acdLogD	1.03
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	456.535
chemicalCompound:chemblId	CHEMBL1327390
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:851274
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:3869507, activity:4569763, activity:4945831, activity:5039834, activity:5595783, activity:5739375, activity:5820068, activity:6547606, activity:6772935, activity:6963752, activity:7018508, activity:7220778, activity:7376003, activity:7391796