818900

Source:http://linkedlifedata.com/resource/chembl/compound/818900

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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/C23H32N4O2S/c1-29-20-14-12-17(13-15-20)22-24-23(26-25-22)30-16-21(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11,16H2,1H3,(H,24,25,26)
chemicalCompound:standardIn...	XBZVVAAFUTUJBF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2n[nH]c(SCC(=O)N(C3CCCCC3)C4CCCCC4)n2
chemicalCompound:molecularF...	C23H32N4O2S
chemicalCompound:moleculeId	818900
chemicalCompound:mwFreebase	428.591
chemicalCompound:alogp	5.259
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	96.41
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.622
chemicalCompound:acdLogP	6.247
chemicalCompound:acdLogD	6.223
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	428.591
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1395016
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:918900
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:3799909, activity:3903910, activity:4462853