690087

Source:http://linkedlifedata.com/resource/chembl/compound/690087

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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/C25H26FN5O3/c1-16-14-30(15-28-16)22-9-4-18(13-23(22)34-3)12-21-24(33)31(25(29-21)27-10-11-32)17(2)19-5-7-20(26)8-6-19/h4-9,12-15,17,32H,10-11H2,1-3H3,(H,27,29)/b21-12-/t17-/m0/s1
chemicalCompound:standardIn...	IUKNHXHAYIPWCO-WCEBZYJUSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(NCCO)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
chemicalCompound:molecularF...	C25H26FN5O3
chemicalCompound:moleculeId	690087
chemicalCompound:mwFreebase	463.504
chemicalCompound:alogp	2.766
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	91.98
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.62
chemicalCompound:acdLogD	2.615
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	463.504
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223639
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790087
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:3413579, activity:3413580