31134

Source:http://linkedlifedata.com/resource/chembl/compound/31134

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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/C27H25NO4S/c29-18-5-9-21-23(15-18)32-26(25-22-10-6-19(30)16-24(22)33-27(21)25)17-3-7-20(8-4-17)31-14-13-28-11-1-2-12-28/h3-10,15-16,26,29-30H,1-2,11-14H2
chemicalCompound:standardIn...	OJUGMOYQHVGACK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2c(OC(c3ccc(OCCN4CCCC4)cc3)c5c2sc6cc(O)ccc56)c1
chemicalCompound:molecularF...	C27 H25 N O4 S
chemicalCompound:moleculeId	31134
chemicalCompound:mwFreebase	459.557
chemicalCompound:alogp	5.95
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	90.4
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.878
chemicalCompound:acdLogP	5.726
chemicalCompound:acdLogD	3.578
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	459.557
chemicalCompound:acdMostBpk...	9.592
chemicalCompound:chemblId	CHEMBL26392
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131134
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:1093936, activity:1093937, activity:1093938, activity:1093939, activity:1093940, activity:1093941, activity:1093942