358932

Source:http://linkedlifedata.com/resource/chembl/compound/358932

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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/C25H27ClO5S/c1-30-22-11-6-16(14-20(22)26)12-13-25(17-4-2-3-5-17)15-21(28)23(24(29)31-25)32-19-9-7-18(27)8-10-19/h6-11,14,17,27,29H,2-5,12-13,15H2,1H3
chemicalCompound:standardIn...	PWOMDIAUSFGIRV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCC2(CC(=O)C(=C(O)O2)Sc3ccc(O)cc3)C4CCCC4)cc1Cl
chemicalCompound:molecularF...	C25 H27 Cl O5 S
chemicalCompound:moleculeId	358932
chemicalCompound:mwFreebase	474.997
chemicalCompound:alogp	6.548
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	101.29
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	5.673
chemicalCompound:acdLogD	2.865
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	474.997
chemicalCompound:chemblId	CHEMBL216044
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:458932
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:1767628, activity:1767651