430518

Source:http://linkedlifedata.com/resource/chembl/compound/430518

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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/C19H18FN5O3/c1-9-5-11(6-10(2)17(9)26)13-4-3-12(7-14(13)20)25-8-15(23-19(22)28)16(24-25)18(21)27/h3-8,26H,1-2H3,(H2,21,27)(H3,22,23,28)
chemicalCompound:standardIn...	DGPWEIMURFEODQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(cc(C)c1O)c2ccc(cc2F)n3cc(NC(=O)N)c(n3)C(=O)N
chemicalCompound:molecularF...	C19 H18 F N5 O3
chemicalCompound:moleculeId	430518
chemicalCompound:mwFreebase	383.376
chemicalCompound:alogp	2.851
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	136.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.036
chemicalCompound:acdLogP	4.019
chemicalCompound:acdLogD	4.017
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.376
chemicalCompound:chemblId	CHEMBL258807
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530518
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:2125433, activity:2125474