47959

Source:http://linkedlifedata.com/resource/chembl/compound/47959

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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/C21H32O4S2/c1-2-3-4-5-6-7-10-17-11-8-9-12-18(17)21(26-15-13-19(22)23)27-16-14-20(24)25/h8-9,11-12,21H,2-7,10,13-16H2,1H3,(H,22,23)(H,24,25)
chemicalCompound:standardIn...	FDEILESHCBSGDV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCc1ccccc1C(SCCC(=O)O)SCCC(=O)O
chemicalCompound:molecularF...	C21 H32 O4 S2
chemicalCompound:moleculeId	47959
chemicalCompound:mwFreebase	412.606
chemicalCompound:alogp	6.331
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	125.2
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.974
chemicalCompound:acdLogP	5.784
chemicalCompound:acdLogD	1.053
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	412.606
chemicalCompound:chemblId	CHEMBL33254
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147959
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:753467, activity:753468