47979

Source:http://linkedlifedata.com/resource/chembl/compound/47979

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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/C29H38O8S2/c1-3-9-22-25(13-12-21(20(2)30)28(22)35)37-17-8-4-7-16-36-24-11-6-5-10-23(24)29(38-18-14-26(31)32)39-19-15-27(33)34/h5-6,10-13,29,35H,3-4,7-9,14-19H2,1-2H3,(H,31,32)(H,33,34)
chemicalCompound:standardIn...	JFAPQDFYYCZVAU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCc1c(O)c(ccc1OCCCCCOc2ccccc2C(SCCC(=O)O)SCCC(=O)O)C(=O)C
chemicalCompound:molecularF...	C29 H38 O8 S2
chemicalCompound:moleculeId	47979
chemicalCompound:mwFreebase	578.737
chemicalCompound:alogp	6.262
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	180.95
chemicalCompound:rtb	20
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.975
chemicalCompound:acdLogP	6.427
chemicalCompound:acdLogD	1.696
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	578.737
chemicalCompound:chemblId	CHEMBL34890
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147979
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:781200, activity:781201