67

Source:http://linkedlifedata.com/resource/chembl/compound/67

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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/C23H24FN5O3/c1-31-19-13-16-18(14-20(19)32-2)26-23(27-21(16)25)29-10-8-28(9-11-29)22(30)17(24)12-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,25,26,27)/b17-12-
chemicalCompound:standardIn...	OJVQDVDDAFKCSK-ATVHPVEESA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C(=C\c4ccccc4)\F
chemicalCompound:molecularF...	C23 H24 F N5 O3
chemicalCompound:moleculeId	67
chemicalCompound:mwFreebase	437.467
chemicalCompound:alogp	2.469
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	93.81
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.64
chemicalCompound:acdLogD	2.579
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.467
chemicalCompound:acdMostBpk...	6.526
chemicalCompound:chemblId	CHEMBL6342
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100067
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:305432, activity:305433