159943

Source:http://linkedlifedata.com/resource/chembl/compound/159943

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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/C25H28N4O2S/c1-17(2)18-7-9-19(10-8-18)28-14-11-27(12-15-28)13-16-29-24(30)23-22(26-25(29)31)20-5-3-4-6-21(20)32-23/h3-10,17H,11-16H2,1-2H3,(H,26,31)
chemicalCompound:standardIn...	PDCJPFURXZYCSG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1ccc(cc1)N2CCN(CCN3C(=O)Nc4c(sc5ccccc45)C3=O)CC2
chemicalCompound:molecularF...	C25 H28 N4 O2 S
chemicalCompound:moleculeId	159943
chemicalCompound:mwFreebase	448.58
chemicalCompound:alogp	4.886
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.13
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.722
chemicalCompound:acdLogP	4.773
chemicalCompound:acdLogD	4.642
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448.58
chemicalCompound:acdMostBpk...	7.041
chemicalCompound:chemblId	CHEMBL95986
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259943
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:1160719, activity:1160720, activity:1160721