86113

Source:http://linkedlifedata.com/resource/chembl/compound/86113

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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/C22H25N3O4S2/c1-2-3-6-21-24-14-18(12-17(22(26)27)13-19-5-4-11-30-19)25(21)15-16-7-9-20(10-8-16)31(23,28)29/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H2,23,28,29)/b17-12+
chemicalCompound:standardIn...	UXRQPMNVDMTWAH-SFQUDFHCSA-N
chemicalCompound:canonicalS...	CCCCc1ncc(\C=C(/Cc2cccs2)\C(=O)O)n1Cc3ccc(cc3)S(=O)(=O)N
chemicalCompound:molecularF...	C22 H25 N3 O4 S2
chemicalCompound:moleculeId	86113
chemicalCompound:mwFreebase	459.582
chemicalCompound:alogp	3.907
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	151.89
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.62
chemicalCompound:acdLogP	1.934
chemicalCompound:acdLogD	-0.604
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	459.582
chemicalCompound:acdMostBpk...	8.117
chemicalCompound:chemblId	CHEMBL56160
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:186113
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:362595, activity:362596, activity:362597