48671

Source:http://linkedlifedata.com/resource/chembl/compound/48671

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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/C25H40O5S2/c1-3-4-5-6-7-8-9-10-13-18-30-22-15-12-11-14-21(22)25(2,31-19-16-23(26)27)32-20-17-24(28)29/h11-12,14-15H,3-10,13,16-20H2,1-2H3,(H,26,27)(H,28,29)
chemicalCompound:standardIn...	BZIQJBXFRMPKTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCOc1ccccc1C(C)(SCCC(=O)O)SCCC(=O)O
chemicalCompound:molecularF...	C25 H40 O5 S2
chemicalCompound:moleculeId	48671
chemicalCompound:mwFreebase	484.712
chemicalCompound:alogp	7.096
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	134.43
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.988
chemicalCompound:acdLogP	7.806
chemicalCompound:acdLogD	3.077
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	484.712
chemicalCompound:chemblId	CHEMBL32558
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148671
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:765538, activity:765539