218814

Source:http://linkedlifedata.com/resource/chembl/compound/218814

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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/C21H20FN5O4/c1-13(28)24-10-16-11-27(21(29)31-16)15-2-3-20(18(22)8-15)26-6-4-14(5-7-26)17-12-30-25-19(17)9-23/h2-4,8,12,16H,5-7,10-11H2,1H3,(H,24,28)/t16-/m0/s1
chemicalCompound:standardIn...	DZECIFKNFWRGNB-INIZCTEOSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCC(=CC3)c4conc4C#N)c(F)c2
chemicalCompound:molecularF...	C21 H20 F N5 O4
chemicalCompound:moleculeId	218814
chemicalCompound:mwFreebase	425.413
chemicalCompound:alogp	2.054
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	111.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.575
chemicalCompound:acdLogD	-0.577
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	425.413
chemicalCompound:acdMostBpk...	4.824
chemicalCompound:chemblId	CHEMBL133840
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318814
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:381185, activity:381186, activity:381187, activity:381188, activity:381189, activity:381190, activity:381191, activity:381192, activity:381193, activity:381194, activity:381195