87985

Source:http://linkedlifedata.com/resource/chembl/compound/87985

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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/C25H34O5S/c1-19(12-13-21(26)24-11-9-15-31-24)10-7-5-6-8-14-30-18-20-16-22(27-2)25(29-4)23(17-20)28-3/h5,7,9-11,15-17,21,26H,6,8,12-14,18H2,1-4H3/b7-5+,19-10+
chemicalCompound:standardIn...	QCOQQJOVCOVBJH-YNZOLMGVSA-N
chemicalCompound:canonicalS...	COc1cc(COCCC\C=C\C=C(/C)\CCC(O)c2cccs2)cc(OC)c1OC
chemicalCompound:molecularF...	C25 H34 O5 S
chemicalCompound:moleculeId	87985
chemicalCompound:mwFreebase	446.599
chemicalCompound:alogp	5.441
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	85.39
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.814
chemicalCompound:acdLogP	4.306
chemicalCompound:acdLogD	4.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	446.599
chemicalCompound:chemblId	CHEMBL56077
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187985
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:295228, activity:295229, activity:295230, activity:295231, activity:295232