113455

Source:http://linkedlifedata.com/resource/chembl/compound/113455

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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/C20H23FN4O3/c1-13(10-22)15-5-7-24(8-6-15)19-4-3-16(9-18(19)21)25-12-17(28-20(25)27)11-23-14(2)26/h3-4,9,17H,5-8,11-12H2,1-2H3,(H,23,26)/t17-/m0/s1
chemicalCompound:standardIn...	QPNMZZONOWLDDU-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCC(=C(C)C#N)CC3)c(F)c2
chemicalCompound:molecularF...	C20 H23 F N4 O3
chemicalCompound:moleculeId	113455
chemicalCompound:mwFreebase	386.42
chemicalCompound:alogp	2.421
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	85.66
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.994
chemicalCompound:acdLogD	0.84
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.42
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL70348
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213455
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:199959, activity:199960, activity:199961, activity:199962, activity:199963, activity:199964, activity:199965, activity:199966, activity:199967, activity:199968, activity:199969, activity:199970