282327

Source:http://linkedlifedata.com/resource/chembl/compound/282327

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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/C31H34O7S2/c1-20-17-27(24(30(2,3)4)18-26(20)38-40(35,36)23-9-7-6-8-10-23)39-28-25(33)19-31(5,37-29(28)34)16-15-21-11-13-22(32)14-12-21/h6-14,17-18,32,34H,15-16,19H2,1-5H3
chemicalCompound:standardIn...	ZWSZYBSRJUPEBM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(SC2=C(O)OC(C)(CCc3ccc(O)cc3)CC2=O)c(cc1OS(=O)(=O)c4ccccc4)C(C)(C)C
chemicalCompound:molecularF...	C31 H34 O7 S2
chemicalCompound:moleculeId	282327
chemicalCompound:mwFreebase	582.727
chemicalCompound:alogp	7.538
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	143.81
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	6.614
chemicalCompound:acdLogD	3.809
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	582.727
chemicalCompound:chemblId	CHEMBL172622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:382327
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:408285, activity:408286, activity:408287