470799

Source:http://linkedlifedata.com/resource/chembl/compound/470799

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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:422253
chemicalCompound:standardIn...	InChI=1S/C20H21FN6O5.Na/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1
chemicalCompound:standardIn...	QLBNDXLKPYXCIW-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)[O-]
chemicalCompound:molecularF...	C20H20FN6NaO5
chemicalCompound:moleculeId	470799
chemicalCompound:mwFreebase	444.416
chemicalCompound:alogp	-0.291
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	150.01
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.715
chemicalCompound:acdLogD	-0.088
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	466.398
chemicalCompound:acdMostBpk...	0.417
chemicalCompound:chemblId	CHEMBL460566
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:570799
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:2360985, activity:2360986, activity:2360987, activity:2360988, activity:2360989, activity:2360990, activity:2360991, activity:2360992, activity:2360993, activity:2360994, activity:2360995, activity:2360996