167588

Source:http://linkedlifedata.com/resource/chembl/compound/167588

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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/C23H24F3N4O7P/c1-13(22-29-20(30-36-22)12-16-3-7-17(8-4-16)23(24,25)26)27-21(32)19(28-14(2)31)11-15-5-9-18(10-6-15)37-38(33,34)35/h3-10,13,19H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H2,33,34,35)/t13-,19-/m0/s1
chemicalCompound:standardIn...	KVCLASFFEYSLKL-DJJJIMSYSA-N
chemicalCompound:canonicalS...	C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)C)c2onc(Cc3ccc(cc3)C(F)(F)F)n2
chemicalCompound:molecularF...	C23 H24 F3 N4 O7 P
chemicalCompound:moleculeId	167588
chemicalCompound:mwFreebase	556.428
chemicalCompound:alogp	2.605
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	173.68
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.269
chemicalCompound:acdLogP	0.717
chemicalCompound:acdLogD	-3.177
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	556.428
chemicalCompound:chemblId	CHEMBL103838
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267588
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:688053, activity:688054, activity:688055, activity:953805, activity:953806, activity:953807, activity:953808