691133

Source:http://linkedlifedata.com/resource/chembl/compound/691133

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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/C24H24FN5O2/c1-15-13-29(14-27-15)21-10-5-17(12-22(21)32-4)11-20-23(31)30(24(26-3)28-20)16(2)18-6-8-19(25)9-7-18/h5-14,16H,1-4H3,(H,26,28)/b20-11-/t16-/m0/s1
chemicalCompound:standardIn...	PJKIYGUQEBFFSO-VBNMEBLOSA-N
chemicalCompound:canonicalS...	CNC1=N\C(=C/c2ccc(c(OC)c2)n3cnc(C)c3)\C(=O)N1[C@@H](C)c4ccc(F)cc4
chemicalCompound:molecularF...	C24H24FN5O2
chemicalCompound:moleculeId	691133
chemicalCompound:mwFreebase	433.478
chemicalCompound:alogp	3.305
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.263
chemicalCompound:acdLogD	3.257
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	433.478
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1224674
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:791133
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:3413565, activity:3413566