1159795

Source:http://linkedlifedata.com/resource/chembl/compound/1159795

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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/C23H13F4N3O4/c24-18-9-4-13(23(25,26)27)12-17(18)22(31)29-14-5-7-15(8-6-14)34-20-10-11-28-21-16(20)2-1-3-19(21)30(32)33/h1-12H,(H,29,31)
chemicalCompound:standardIn...	VQQYSWPPSHQZEL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc2c(Oc3ccc(NC(=O)c4cc(ccc4F)C(F)(F)F)cc3)ccnc12
chemicalCompound:molecularF...	C23H13F4N3O4
chemicalCompound:moleculeId	1159795
chemicalCompound:mwFreebase	471.361
chemicalCompound:alogp	5.403
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	97.04
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.346
chemicalCompound:acdLogP	3.795
chemicalCompound:acdLogD	3.795
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	471.361
chemicalCompound:acdMostBpk...	1.871
chemicalCompound:chemblId	CHEMBL1796743
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259795
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:6255384