113665

Source:http://linkedlifedata.com/resource/chembl/compound/113665

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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/C19H21FN4O3/c1-12(8-21)14-5-6-23(10-14)18-4-3-15(7-17(18)20)24-11-16(27-19(24)26)9-22-13(2)25/h3-4,7,16H,5-6,9-11H2,1-2H3,(H,22,25)/b14-12-/t16-/m0/s1
chemicalCompound:standardIn...	BEMABWDCACZMKN-HECSCLNYSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CC\C(=C(/C)\C#N)\C3)c(F)c2
chemicalCompound:molecularF...	C19 H21 F N4 O3
chemicalCompound:moleculeId	113665
chemicalCompound:mwFreebase	372.393
chemicalCompound:alogp	2.1
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	85.66
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.397
chemicalCompound:acdLogD	0.395
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	372.393
chemicalCompound:acdMostBpk...	5.059
chemicalCompound:chemblId	CHEMBL71008
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213665
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:214240, activity:214241, activity:214242, activity:214243, activity:214244, activity:214245, activity:214246, activity:214247, activity:214248, activity:214249, activity:214250