231061

Source:http://linkedlifedata.com/resource/chembl/compound/231061

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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/C16H9F6N3OS2/c17-15(18,19)8-4-9(16(20,21)22)6-10(5-8)23-13(26)25-14-24-11(7-28-14)12-2-1-3-27-12/h1-7H,(H2,23,24,25,26)
chemicalCompound:standardIn...	PBAVKKUMNXUDMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cc(NC(=O)Nc2nc(cs2)c3cccs3)cc(c1)C(F)(F)F
chemicalCompound:molecularF...	C16 H9 F6 N3 O S2
chemicalCompound:moleculeId	231061
chemicalCompound:mwFreebase	437.383
chemicalCompound:alogp	5.305
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	110.5
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.79
chemicalCompound:acdLogP	5.863
chemicalCompound:acdLogD	4.004
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	437.383
chemicalCompound:acdMostBpk...	2.051
chemicalCompound:chemblId	CHEMBL141783
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:331061
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:1153699, activity:1153700