349682

Source:http://linkedlifedata.com/resource/chembl/compound/349682

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:349682_L-870812_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29)
chemicalCompound:standardIn...	DKMXWAOCNKDQMT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c3ncccc13
chemicalCompound:molecularF...	C21 H20 F N5 O4
chemicalCompound:moleculeId	349682
chemicalCompound:mwFreebase	425.413
chemicalCompound:alogp	1.474
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	115.72
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.904
chemicalCompound:acdLogP	2.142
chemicalCompound:acdLogD	-0.22
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	425.413
chemicalCompound:acdMostBpk...	0.783
chemicalCompound:chemblId	CHEMBL426686
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:449682
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:1724227, activity:1724239, activity:1724250, activity:1724261, activity:1724268, activity:1724338, activity:1724365, activity:1724368, activity:1724371, activity:1724372, activity:1724373, activity:1724374, activity:1724375, activity:5172225, activity:5172226, activity:5172227, activity:5172228, activity:5172229, activity:5172230, activity:5172231, activity:5172232, activity:5172233, activity:5172234, activity:5172235, activity:5172236