475232

Source:http://linkedlifedata.com/resource/chembl/compound/475232

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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/C23H20F3N3O4S/c1-27-22(30)21-19(33-11-13-6-4-5-7-14(13)23(24,25)26)10-20(34-21)29-12-28-15-8-17(31-2)18(32-3)9-16(15)29/h4-10,12H,11H2,1-3H3,(H,27,30)
chemicalCompound:standardIn...	ZBDRKUGDFBDQJP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34
chemicalCompound:molecularF...	C23H20F3N3O4S
chemicalCompound:moleculeId	475232
chemicalCompound:mwFreebase	491.483
chemicalCompound:alogp	4.89
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	102.85
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.185
chemicalCompound:acdLogD	1.185
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.483
chemicalCompound:acdMostBpk...	3.281
chemicalCompound:chemblId	CHEMBL518968
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:575232
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:2505560, activity:7526077, activity:8103915, activity:8103916, activity:8103917, activity:8103918, activity:8103919, activity:8103920, activity:8103921, activity:8103922, activity:8103923, activity:8103924, activity:8103925, activity:8103926, activity:8103927, activity:8103928, activity:8103929, activity:8103930, activity:8103931, activity:8103932, activity:8103933, activity:8103934, activity:8103935, activity:8103936, activity:8103937, activity:8103938, activity:8103939, activity:8103940, activity:8103941, activity:8103942, activity:8103943, activity:8103944, activity:8103945, activity:8103946, activity:8103947, activity:8103948, activity:8103949, activity:8103950, activity:8103951, activity:8103952, activity:8103953, activity:8103954, activity:8103955, activity:8103956, activity:8103957, activity:8103958, activity:8103959, activity:8103960, activity:8103961, activity:8103962, activity:8103963, activity:8103964, activity:8103965, activity:8103966, activity:8103967, activity:8103968, activity:8103969, activity:8103970, activity:8103971, activity:8103972, activity:8108095, activity:8108096, activity:8108097, activity:8108098, activity:8108099, activity:8108100, activity:8108101