553350

Source:http://linkedlifedata.com/resource/chembl/compound/553350

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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:670702
chemicalCompound:standardIn...	InChI=1S/C17H17F6N5O.ClH/c1-8-6-27(7-14-25-26-16(28(8)14)17(21,22)23)15(29)4-10(24)2-9-3-12(19)13(20)5-11(9)18;/h3,5,8,10H,2,4,6-7,24H2,1H3;1H/t8-,10+;/m0./s1
chemicalCompound:standardIn...	ALVRAKWCGMBCLL-KXNXZCPBSA-N
chemicalCompound:canonicalS...	Cl.C[C@@H]1CN(Cc2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F
chemicalCompound:molecularF...	C17H18ClF6N5O
chemicalCompound:moleculeId	553350
chemicalCompound:mwFreebase	421.34
chemicalCompound:alogp	2.307
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.03
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.591
chemicalCompound:acdLogD	2.487
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	457.801
chemicalCompound:acdMostBpk...	7.197
chemicalCompound:chemblId	CHEMBL558035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653350
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:2068783, activity:2068824, activity:2068887, activity:2068925, activity:2069029, activity:2069070, activity:2069077