569496

Source:http://linkedlifedata.com/resource/chembl/compound/569496

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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/C17H13F2N5O4/c18-8-1-2-9(10(19)3-8)11-4-23-16(26)14-15(22-17(23)21-11)24(7-20-14)12-6-27-13(5-25)28-12/h1-4,7,12-13,25H,5-6H2,(H,21,22)/t12-,13-/m1/s1
chemicalCompound:standardIn...	DAAURHVSRBONBV-CHWSQXEVSA-N
chemicalCompound:canonicalS...	OC[C@@H]1OC[C@@H](O1)n2cnc3C(=O)N4C=C(NC4=Nc23)c5ccc(F)cc5F
chemicalCompound:molecularF...	C17H13F2N5O4
chemicalCompound:moleculeId	569496
chemicalCompound:mwFreebase	389.313
chemicalCompound:alogp	0.474
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	101.21
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.575
chemicalCompound:acdLogD	1.575
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.313
chemicalCompound:acdMostBpk...	2.169
chemicalCompound:chemblId	CHEMBL578655
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669496
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:2909847, activity:2909863, activity:2909890, activity:2909920, activity:2917800, activity:2917834, activity:2917865