470517

Source:http://linkedlifedata.com/resource/chembl/compound/470517

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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/C23H29FN6O5/c1-23(2,27-19(33)21(35)30-11-9-28(3)10-12-30)22-26-16(17(31)20(34)29(22)4)18(32)25-13-14-5-7-15(24)8-6-14/h5-8,31H,9-13H2,1-4H3,(H,25,32)(H,27,33)
chemicalCompound:standardIn...	DPAFVBVGSXRSSW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)C(=O)C(=O)NC(C)(C)C2=NC(=C(O)C(=O)N2C)C(=O)NCc3ccc(F)cc3
chemicalCompound:molecularF...	C23H29FN6O5
chemicalCompound:moleculeId	470517
chemicalCompound:mwFreebase	488.512
chemicalCompound:alogp	-0.479
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	134.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	1.45
chemicalCompound:acdLogD	-1.305
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	488.512
chemicalCompound:acdMostBpk...	6.517
chemicalCompound:chemblId	CHEMBL492682
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:570517
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:2360848, activity:2360872, activity:2360896