133214

Source:http://linkedlifedata.com/resource/chembl/compound/133214

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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/C22H20F2N4O4/c1-11-17(23)20(31-14-6-4-5-12(9-14)19(25)26)27-21(18(11)24)32-16-10-13(7-8-15(16)29)22(30)28(2)3/h4-10,29H,1-3H3,(H3,25,26)
chemicalCompound:standardIn...	FFLUOHORAZSTDQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)C(=O)c1ccc(O)c(Oc2nc(Oc3cccc(c3)C(=N)N)c(F)c(C)c2F)c1
chemicalCompound:molecularF...	C22 H20 F2 N4 O4
chemicalCompound:moleculeId	133214
chemicalCompound:mwFreebase	442.415
chemicalCompound:alogp	4.003
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	121.76
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.47
chemicalCompound:acdLogP	2.439
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	442.415
chemicalCompound:acdMostBpk...	10.659
chemicalCompound:chemblId	CHEMBL83392
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:233214
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:827162, activity:1082701, activity:1082702, activity:1082703