31243

Source:http://linkedlifedata.com/resource/chembl/compound/31243

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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/C28H27NO3S/c30-20-10-13-22-24(18-20)32-27(26-23-6-2-3-7-25(23)33-28(22)26)19-8-11-21(12-9-19)31-17-16-29-14-4-1-5-15-29/h2-3,6-13,18,27,30H,1,4-5,14-17H2
chemicalCompound:standardIn...	UOLDIIDQKRMCTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2c(OC(c3ccc(OCCN4CCCCC4)cc3)c5c2sc6ccccc56)c1
chemicalCompound:molecularF...	C28 H27 N O3 S
chemicalCompound:moleculeId	31243
chemicalCompound:mwFreebase	457.584
chemicalCompound:alogp	6.648
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	70.17
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.031
chemicalCompound:acdLogP	6.89
chemicalCompound:acdLogD	5.624
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	457.584
chemicalCompound:acdMostBpk...	8.638
chemicalCompound:chemblId	CHEMBL26105
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131243
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:1087158, activity:1087159, activity:1087160, activity:1087161, activity:1087162, activity:1087163, activity:1087164