690333

Source:http://linkedlifedata.com/resource/chembl/compound/690333

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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/C24H24FN5O3/c1-15-13-29(14-27-15)21-8-3-16(12-22(21)33-2)11-19-23(32)30(24(26)28-19)20(9-10-31)17-4-6-18(25)7-5-17/h3-8,11-14,20,31H,9-10H2,1-2H3,(H2,26,28)/b19-11-/t20-/m1/s1
chemicalCompound:standardIn...	LZULQSAJDCFRRV-DEWISIQVSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(N)N([C@H](CCO)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
chemicalCompound:molecularF...	C24H24FN5O3
chemicalCompound:moleculeId	690333
chemicalCompound:mwFreebase	449.477
chemicalCompound:alogp	2.273
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	105.97
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.895
chemicalCompound:acdLogD	1.889
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.477
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223882
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790333
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:3413611, activity:3413612