430449

Source:http://linkedlifedata.com/resource/chembl/compound/430449

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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/C18H16FN5O3/c1-9-6-11(3-4-12(9)10-2-5-15(25)13(19)7-10)24-8-14(22-18(21)27)16(23-24)17(20)26/h2-8,25H,1H3,(H2,20,26)(H3,21,22,27)
chemicalCompound:standardIn...	UHYFVRLAOSAAHV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1c2ccc(O)c(F)c2)n3cc(NC(=O)N)c(n3)C(=O)N
chemicalCompound:molecularF...	C18 H16 F N5 O3
chemicalCompound:moleculeId	430449
chemicalCompound:mwFreebase	369.35
chemicalCompound:alogp	2.365
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	136.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.5
chemicalCompound:acdLogP	3.596
chemicalCompound:acdLogD	3.562
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.35
chemicalCompound:chemblId	CHEMBL261410
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530449
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:2125426, activity:2125448, activity:2125464