723679

Source:http://linkedlifedata.com/resource/chembl/compound/723679

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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/C31H33NO8S/c1-3-39-27-18-20(12-15-26(27)40-41(37,38)21-13-10-19(2)11-14-21)29-30-22(6-4-8-24(30)33)32(17-16-28(35)36)23-7-5-9-25(34)31(23)29/h10-15,18,29H,3-9,16-17H2,1-2H3,(H,35,36)
chemicalCompound:standardIn...	UNWYOYLJJQCVAD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cc(ccc1OS(=O)(=O)c2ccc(C)cc2)C3C4=C(CCCC4=O)N(CCC(=O)O)C5=C3C(=O)CCC5
chemicalCompound:molecularF...	C31H33NO8S
chemicalCompound:moleculeId	723679
chemicalCompound:mwFreebase	579.661
chemicalCompound:alogp	4.566
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	135.66
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.53
chemicalCompound:acdLogP	6.17
chemicalCompound:acdLogD	3.449
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	579.661
chemicalCompound:chemblId	CHEMBL1299795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823679
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:3621581, activity:3715219, activity:3987154, activity:4016668, activity:4118187, activity:4400666, activity:4464180, activity:4815810, activity:4876808, activity:4948334, activity:5061627, activity:5341968, activity:5375936, activity:5505479, activity:5857577, activity:6563555, activity:6747095, activity:7166152, activity:7276289, activity:7483272