690414

Source:http://linkedlifedata.com/resource/chembl/compound/690414

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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/C26H26FN5O2/c1-17-15-30(16-29-17)22-10-5-19(14-24(22)34-3)13-23-25(33)32(26-28-11-4-12-31(23)26)18(2)20-6-8-21(27)9-7-20/h5-10,13-16,18H,4,11-12H2,1-3H3/b23-13-/t18-/m0/s1
chemicalCompound:standardIn...	OEVXYVYGPGNUGW-QRAWFLTRSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N3CCCN=C3N([C@@H](C)c4ccc(F)cc4)C2=O)ccc1n5cnc(C)c5
chemicalCompound:molecularF...	C26H26FN5O2
chemicalCompound:moleculeId	690414
chemicalCompound:mwFreebase	459.515
chemicalCompound:alogp	3.392
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	62.96
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.404
chemicalCompound:acdLogD	3.398
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	459.515
chemicalCompound:acdMostBpk...	5.539
chemicalCompound:chemblId	CHEMBL1223962
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790414
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:3413635