690277

Source:http://linkedlifedata.com/resource/chembl/compound/690277

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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/C26H28FN5O2/c1-4-5-12-28-26-30-22(25(33)32(26)16-19-6-9-21(27)10-7-19)13-20-8-11-23(24(14-20)34-3)31-15-18(2)29-17-31/h6-11,13-15,17H,4-5,12,16H2,1-3H3,(H,28,30)/b22-13-
chemicalCompound:standardIn...	LGIDSVCNVDQXNT-XKZIYDEJSA-N
chemicalCompound:canonicalS...	CCCCNC1=N\C(=C/c2ccc(c(OC)c2)n3cnc(C)c3)\C(=O)N1Cc4ccc(F)cc4
chemicalCompound:molecularF...	C26H28FN5O2
chemicalCompound:moleculeId	690277
chemicalCompound:mwFreebase	461.531
chemicalCompound:alogp	4.256
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.246
chemicalCompound:acdLogD	4.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	461.531
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223827
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790277
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:3413605, activity:3413606, activity:3413639, activity:3413640, activity:3413641, activity:3413642, activity:3413643, activity:3413644, activity:3413645, activity:3413646