47555

Source:http://linkedlifedata.com/resource/chembl/compound/47555

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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/C25H36O4S2/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)25(30-19-17-23(26)27)31-20-18-24(28)29/h12-13,15-16,25H,2-10,17-20H2,1H3,(H,26,27)(H,28,29)
chemicalCompound:standardIn...	ZLXWTDJXMMVCPB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCC#Cc1ccccc1C(SCCC(=O)O)SCCC(=O)O
chemicalCompound:molecularF...	C25 H36 O4 S2
chemicalCompound:moleculeId	47555
chemicalCompound:mwFreebase	464.681
chemicalCompound:alogp	7.834
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	125.2
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.966
chemicalCompound:acdLogP	7.378
chemicalCompound:acdLogD	2.647
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	464.681
chemicalCompound:chemblId	CHEMBL418042
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147555
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:773286, activity:773287