48688

Source:http://linkedlifedata.com/resource/chembl/compound/48688

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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/C21H36O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(26-17-15-19(22)23)27-18-16-20(24)25/h21H,2-12,15-18H2,1H3,(H,22,23)(H,24,25)
chemicalCompound:standardIn...	RWKPXJMGRKDNGB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O
chemicalCompound:molecularF...	C21 H36 O4 S2
chemicalCompound:moleculeId	48688
chemicalCompound:mwFreebase	416.638
chemicalCompound:alogp	7.228
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	125.2
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.936
chemicalCompound:acdLogP	7.748
chemicalCompound:acdLogD	3.015
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.638
chemicalCompound:chemblId	CHEMBL32614
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148688
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:765535