285006

Source:http://linkedlifedata.com/resource/chembl/compound/285006

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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/C23H24BrN3O2S/c1-28-20-9-10-21(29-2)18(14-20)12-13-25-23(27-22-11-8-19(24)15-26-22)30-16-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,26,27)
chemicalCompound:standardIn...	WWDAINQNLMSFKS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(CC\N=C(\Nc2ccc(Br)cn2)/SCc3ccccc3)c1
chemicalCompound:molecularF...	C23 H24 Br N3 O2 S
chemicalCompound:moleculeId	285006
chemicalCompound:mwFreebase	486.425
chemicalCompound:alogp	6.004
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	81.04
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.429
chemicalCompound:acdLogD	6.429
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	486.425
chemicalCompound:acdMostBpk...	3.26
chemicalCompound:chemblId	CHEMBL171455
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:385006
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:820767, activity:820768, activity:820769, activity:820770