470382

Source:http://linkedlifedata.com/resource/chembl/compound/470382

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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/C20H25FN4O4/c1-20(2,25-8-10-29-11-9-25)19-23-15(16(26)18(28)24(19)3)17(27)22-12-13-4-6-14(21)7-5-13/h4-7,26H,8-12H2,1-3H3,(H,22,27)
chemicalCompound:standardIn...	LVSLGGSSHFNPJF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)C(=C(N=C1C(C)(C)N2CCOCC2)C(=O)NCc3ccc(F)cc3)O
chemicalCompound:molecularF...	C20H25FN4O4
chemicalCompound:moleculeId	470382
chemicalCompound:mwFreebase	404.435
chemicalCompound:alogp	0.638
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	94.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.029
chemicalCompound:acdLogD	-0.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	404.435
chemicalCompound:acdMostBpk...	5.049
chemicalCompound:chemblId	CHEMBL492464
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:570382
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:2360859, activity:2360883, activity:2360907