47807

Source:http://linkedlifedata.com/resource/chembl/compound/47807

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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/C24H38O6S2/c1-2-3-4-5-6-7-8-9-10-15-30-21-12-11-19(25)18-20(21)24(31-16-13-22(26)27)32-17-14-23(28)29/h11-12,18,24-25H,2-10,13-17H2,1H3,(H,26,27)(H,28,29)
chemicalCompound:standardIn...	CEZOAWAOXBVCPM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCOc1ccc(O)cc1C(SCCC(=O)O)SCCC(=O)O
chemicalCompound:molecularF...	C24 H38 O6 S2
chemicalCompound:moleculeId	47807
chemicalCompound:mwFreebase	486.685
chemicalCompound:alogp	6.915
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	154.66
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.971
chemicalCompound:acdLogP	6.726
chemicalCompound:acdLogD	1.994
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	486.685
chemicalCompound:chemblId	CHEMBL286074
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147807
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:756696, activity:756697