398307

Source:http://linkedlifedata.com/resource/chembl/compound/398307

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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/C23H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-14-24-22(26)19-16-29-23(25-19)18-12-13-20-21(15-18)28-17-27-20/h12-13,15,19,23,25H,2-11,14,16-17H2,1H3,(H,24,26)/t19-,23?/m0/s1
chemicalCompound:standardIn...	UJIOPOQTZVLCQG-HSTJUUNISA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCNC(=O)[C@@H]1CSC(N1)c2ccc3OCOc3c2
chemicalCompound:molecularF...	C23 H36 N2 O3 S
chemicalCompound:moleculeId	398307
chemicalCompound:mwFreebase	420.609
chemicalCompound:alogp	5.941
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	84.89
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	8.739
chemicalCompound:acdLogD	8.72
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.609
chemicalCompound:acdMostBpk...	6.332
chemicalCompound:chemblId	CHEMBL237980
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:498307
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:1970567, activity:1970590, activity:1970598