583667

Source:http://linkedlifedata.com/resource/chembl/compound/583667

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:583667_GNF-PF-443_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H14ClNO3S/c17-12-6-8-13(9-7-12)18-16(21)15(22-10-14(19)20)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,18,21)(H,19,20)
chemicalCompound:standardIn...	QEYOHPDHFPXPHI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CSC(C(=O)Nc1ccc(Cl)cc1)c2ccccc2
chemicalCompound:molecularF...	C16H14ClNO3S
chemicalCompound:moleculeId	583667
chemicalCompound:mwFreebase	335.805
chemicalCompound:alogp	3.296
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	91.69
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.57
chemicalCompound:acdLogP	3.267
chemicalCompound:acdLogD	-0.229
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	335.805
chemicalCompound:chemblId	CHEMBL582324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:683667
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:3024117, activity:3027887, activity:3028751, activity:3045634, activity:6235570