549996

Source:http://linkedlifedata.com/resource/chembl/compound/549996

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:670391
chemicalCompound:standardIn...	InChI=1S/C20H22F6N6O2.ClH/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21;/h6,8,11,15H,3-5,7,9,27H2,1-2H3;1H/t11-,15?;/m1./s1
chemicalCompound:standardIn...	NSNXYLYKGIWDIN-IXCAENJASA-N
chemicalCompound:canonicalS...	Cl.CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F
chemicalCompound:molecularF...	C20H23ClF6N6O2
chemicalCompound:moleculeId	549996
chemicalCompound:mwFreebase	492.418
chemicalCompound:alogp	1.579
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	97.34
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.601
chemicalCompound:acdLogD	1.467
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	528.879
chemicalCompound:acdMostBpk...	7.203
chemicalCompound:chemblId	CHEMBL556979
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:649996
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:2068772, activity:2068773, activity:2068805, activity:2068806, activity:2068868, activity:2068869, activity:2068906, activity:2068907, activity:2068928, activity:2068935, activity:2068945, activity:2068956, activity:2068965, activity:2069010, activity:2069011, activity:2069051, activity:2069052, activity:2069096, activity:2069097