430662

Source:http://linkedlifedata.com/resource/chembl/compound/430662

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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/C19H17F2N5O3/c1-9-5-10(26-8-15(24-19(23)28)17(25-26)18(22)27)3-4-12(9)16-13(20)6-11(29-2)7-14(16)21/h3-8H,1-2H3,(H2,22,27)(H3,23,24,28)
chemicalCompound:standardIn...	KVLVWTNOGZYWTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(F)c(c(F)c1)c2ccc(cc2C)n3cc(NC(=O)N)c(n3)C(=O)N
chemicalCompound:molecularF...	C19 H17 F2 N5 O3
chemicalCompound:moleculeId	430662
chemicalCompound:mwFreebase	401.367
chemicalCompound:alogp	2.796
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	125.26
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.774
chemicalCompound:acdLogP	3.502
chemicalCompound:acdLogD	3.502
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.367
chemicalCompound:chemblId	CHEMBL261629
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530662
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:2125419, activity:2125441, activity:2125457