690274

Source:http://linkedlifedata.com/resource/chembl/compound/690274

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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/C26H28FN5O3/c1-17-15-31(16-29-17)23-10-5-19(14-24(23)35-3)13-22-25(34)32(26(30-22)28-11-4-12-33)18(2)20-6-8-21(27)9-7-20/h5-10,13-16,18,33H,4,11-12H2,1-3H3,(H,28,30)/b22-13-/t18-/m1/s1
chemicalCompound:standardIn...	CZZMYPJKNXXKMQ-QLTNSANVSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(NCCCO)N([C@H](C)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
chemicalCompound:molecularF...	C26H28FN5O3
chemicalCompound:moleculeId	690274
chemicalCompound:mwFreebase	477.531
chemicalCompound:alogp	2.828
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	91.98
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.807
chemicalCompound:acdLogD	2.801
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	477.531
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790274
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:3413599, activity:3413600