159004

Source:http://linkedlifedata.com/resource/chembl/compound/159004

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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/C18H18N2O7S/c1-10(21)26-7-11-9-28-17-14(16(23)20(17)15(11)18(24)25)19-13(22)8-27-12-5-3-2-4-6-12/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)/t14-,17-/m1/s1
chemicalCompound:standardIn...	WJJYDNKVEGMTBM-RHSMWYFYSA-N
chemicalCompound:canonicalS...	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)COc3ccccc3)C2=O)C(=O)O
chemicalCompound:molecularF...	C18 H18 N2 O7 S
chemicalCompound:moleculeId	159004
chemicalCompound:mwFreebase	406.41
chemicalCompound:alogp	0.254
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	147.54
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.674
chemicalCompound:acdLogP	0.317
chemicalCompound:acdLogD	-3.39
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	406.41
chemicalCompound:chemblId	CHEMBL317778
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259004
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:100772, activity:100773, activity:100774, activity:100775, activity:100776, activity:100777, activity:100778, activity:296742, activity:296743, activity:296744, activity:296745, activity:296746, activity:296747, activity:296748, activity:296749, activity:296750, activity:296751, activity:296752, activity:296753, activity:296754, activity:296755, activity:296756, activity:296757, activity:296758, activity:296759, activity:296760, activity:296761, activity:296762, activity:296763, activity:296764