1159798

Source:http://linkedlifedata.com/resource/chembl/compound/1159798

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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/C27H19F6N3O3/c1-14-10-19(39-23-8-9-34-24-20(23)4-3-5-22(24)35-15(2)37)6-7-21(14)36-25(38)16-11-17(26(28,29)30)13-18(12-16)27(31,32)33/h3-13H,1-2H3,(H,35,37)(H,36,38)
chemicalCompound:standardIn...	AAPZQYNVDUHBLG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1cccc2c(Oc3ccc(NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)c(C)c3)ccnc12
chemicalCompound:molecularF...	C27H19F6N3O3
chemicalCompound:moleculeId	1159798
chemicalCompound:mwFreebase	547.448
chemicalCompound:alogp	5.852
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	80.31
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.796
chemicalCompound:acdLogP	6.192
chemicalCompound:acdLogD	6.192
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.448
chemicalCompound:acdMostBpk...	3.182
chemicalCompound:chemblId	CHEMBL1796746
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259798
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:6255387