430678

Source:http://linkedlifedata.com/resource/chembl/compound/430678

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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/C18H15F2N5O3/c1-8-4-9(25-7-14(23-18(22)28)16(24-25)17(21)27)2-3-11(8)15-12(19)5-10(26)6-13(15)20/h2-7,26H,1H3,(H2,21,27)(H3,22,23,28)
chemicalCompound:standardIn...	GMTYZITWVVOKMY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1c2c(F)cc(O)cc2F)n3cc(NC(=O)N)c(n3)C(=O)N
chemicalCompound:molecularF...	C18 H15 F2 N5 O3
chemicalCompound:moleculeId	430678
chemicalCompound:mwFreebase	387.34
chemicalCompound:alogp	2.571
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	136.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.781
chemicalCompound:acdLogP	4.313
chemicalCompound:acdLogD	4.162
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.34
chemicalCompound:chemblId	CHEMBL411875
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530678
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:2125421, activity:2125443, activity:2125459