1068223

Source:http://linkedlifedata.com/resource/chembl/compound/1068223

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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/C17H15F2N5O5/c18-9-2-1-3-10(19)15(9)24-6-11(21-22-24)8-5-23(17(28)20-16(8)27)14-4-12(26)13(7-25)29-14/h1-3,5-6,12-14,25-26H,4,7H2,(H,20,27,28)/t12-,13+,14+/m0/s1
chemicalCompound:standardIn...	QYGPSKONHWPQCQ-BFHYXJOUSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O)c3cn(nn3)c4c(F)cccc4F
chemicalCompound:molecularF...	C17H15F2N5O5
chemicalCompound:moleculeId	1068223
chemicalCompound:mwFreebase	407.328
chemicalCompound:alogp	0.393
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	129.81
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.878
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.133
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	407.328
chemicalCompound:chemblId	CHEMBL1669304
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168223
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:5204712, activity:5204723, activity:5204724, activity:5204728, activity:5204729, activity:5204737, activity:5204746, activity:5204759, activity:5204768, activity:5204771, activity:5204775, activity:5204779, activity:5204788, activity:5204819, activity:5204831, activity:5204843, activity:5204855, activity:5204867, activity:5204879, activity:5204891, activity:5204903, activity:5204915, activity:5204927, activity:5204939, activity:5205351