470585

Source:http://linkedlifedata.com/resource/chembl/compound/470585

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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/C22H22FN5O4/c1-22(2,27-18(30)15-6-4-5-11-24-15)21-26-16(17(29)20(32)28(21)3)19(31)25-12-13-7-9-14(23)10-8-13/h4-11,29H,12H2,1-3H3,(H,25,31)(H,27,30)
chemicalCompound:standardIn...	AYYZVIZCPBKXCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2ccccn2)C(=O)NCc3ccc(F)cc3)O
chemicalCompound:molecularF...	C22H22FN5O4
chemicalCompound:moleculeId	470585
chemicalCompound:mwFreebase	439.44
chemicalCompound:alogp	0.946
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	123.99
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.754
chemicalCompound:acdLogD	-0.049
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	439.44
chemicalCompound:acdMostBpk...	2.397
chemicalCompound:chemblId	CHEMBL461406
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:570585
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:2360843, activity:2360867, activity:2360891