47656

Source:http://linkedlifedata.com/resource/chembl/compound/47656

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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/C23H34O4S2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)23-28-19(21(24)25)20(29-23)22(26)27/h12-13,15-16,19-20,23H,2-11,14H2,1H3,(H,24,25)(H,26,27)/t19-,20+,23?
chemicalCompound:standardIn...	BDUWLAJHXQHPPO-DETIRCLXSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCc1ccccc1C2S[C@H]([C@H](S2)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C23 H34 O4 S2
chemicalCompound:moleculeId	47656
chemicalCompound:mwFreebase	438.644
chemicalCompound:alogp	7.749
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	125.2
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.528
chemicalCompound:acdLogP	13.589
chemicalCompound:acdLogD	8.84
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	438.644
chemicalCompound:chemblId	CHEMBL32434
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147656
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:775591, activity:775592, activity:786858