553336

Source:http://linkedlifedata.com/resource/chembl/compound/553336

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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:670298
chemicalCompound:standardIn...	InChI=1S/C18H19F6N5O.ClH/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19;/h6,8,10,14H,2-5,7,25H2,1H3;1H/t10-,14?;/m1./s1
chemicalCompound:standardIn...	IISVEMRUXSLANN-WXGKZINCSA-N
chemicalCompound:canonicalS...	Cl.CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F
chemicalCompound:molecularF...	C18H20ClF6N5O
chemicalCompound:moleculeId	553336
chemicalCompound:mwFreebase	435.367
chemicalCompound:alogp	2.938
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.03
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.1
chemicalCompound:acdLogD	2.995
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	471.828
chemicalCompound:acdMostBpk...	7.203
chemicalCompound:chemblId	CHEMBL556606
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653336
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:2068774, activity:2068811, activity:2068812, activity:2068846, activity:2068874, activity:2068875, activity:2068912, activity:2068913, activity:2069016, activity:2069017, activity:2069057, activity:2069058, activity:2069102, activity:2069103