217546

Source:http://linkedlifedata.com/resource/chembl/compound/217546

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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/C22H24IN4O7P/c1-13(22-26-20(27-33-22)12-16-3-7-17(23)8-4-16)24-21(29)19(25-14(2)28)11-15-5-9-18(10-6-15)34-35(30,31)32/h3-10,13,19H,11-12H2,1-2H3,(H,24,29)(H,25,28)(H2,30,31,32)/t13-,19-/m0/s1
chemicalCompound:standardIn...	PKVBLMYLERPGLI-DJJJIMSYSA-N
chemicalCompound:canonicalS...	C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)C)c2onc(Cc3ccc(I)cc3)n2
chemicalCompound:molecularF...	C22 H24 I N4 O7 P
chemicalCompound:moleculeId	217546
chemicalCompound:mwFreebase	614.327
chemicalCompound:alogp	2.241
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	173.68
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.269
chemicalCompound:acdLogP	1.068
chemicalCompound:acdLogD	-2.826
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	614.327
chemicalCompound:chemblId	CHEMBL133929
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317546
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:984155, activity:984156, activity:984157