48718

Source:http://linkedlifedata.com/resource/chembl/compound/48718

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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/C22H34O5S2/c1-2-3-4-5-6-7-10-15-27-19-12-9-8-11-18(19)22(28-16-13-20(23)24)29-17-14-21(25)26/h8-9,11-12,22H,2-7,10,13-17H2,1H3,(H,23,24)(H,25,26)
chemicalCompound:standardIn...	LZZXFNNYJMJEFL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCOc1ccccc1C(SCCC(=O)O)SCCC(=O)O
chemicalCompound:molecularF...	C22 H34 O5 S2
chemicalCompound:moleculeId	48718
chemicalCompound:mwFreebase	442.632
chemicalCompound:alogp	6.244
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	134.43
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.975
chemicalCompound:acdLogP	6.376
chemicalCompound:acdLogD	1.646
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	442.632
chemicalCompound:chemblId	CHEMBL35667
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148718
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:772051, activity:772052