469678

Source:http://linkedlifedata.com/resource/chembl/compound/469678

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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/C23H23F5N4O3S/c1-36(34,35)15-4-2-14(3-5-15)18-11-32(13-23(26,27)28)31-19(18)16-6-7-22(24,25)10-17(16)20(33)30-21(12-29)8-9-21/h2-5,11,16-17H,6-10,13H2,1H3,(H,30,33)/t16-,17-/m1/s1
chemicalCompound:standardIn...	FQPUDYNBZIXFER-IAGOWNOFSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)c1ccc(cc1)c2cn(CC(F)(F)F)nc2[C@@H]3CCC(F)(F)C[C@H]3C(=O)NC4(CC4)C#N
chemicalCompound:molecularF...	C23H23F5N4O3S
chemicalCompound:moleculeId	469678
chemicalCompound:mwFreebase	530.511
chemicalCompound:alogp	3.241
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	113.22
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.294
chemicalCompound:acdLogP	1.282
chemicalCompound:acdLogD	1.282
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	530.511
chemicalCompound:acdMostBpk...	0.314
chemicalCompound:chemblId	CHEMBL495113
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:569678
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:2373450, activity:2373455, activity:2373460, activity:2373465, activity:2373470, activity:2373475, activity:2373480, activity:2373487, activity:2373488, activity:2373489, activity:2373490, activity:2373491, activity:2374154, activity:2374155, activity:2374156, activity:2374157, activity:2374158, activity:2374159, activity:2374160, activity:2374161