327585

Source:http://linkedlifedata.com/resource/chembl/compound/327585

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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/C21H24BrFN4O4/c1-14(28)24-11-17-13-27(21(29)31-17)15-2-4-19(18(23)10-15)26-8-6-25(7-9-26)12-16-3-5-20(22)30-16/h2-5,10,17H,6-9,11-13H2,1H3,(H,24,28)/t17-/m0/s1
chemicalCompound:standardIn...	LMUOJMUFLFEKAO-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(Cc4oc(Br)cc4)CC3)c(F)c2
chemicalCompound:molecularF...	C21 H24 Br F N4 O4
chemicalCompound:moleculeId	327585
chemicalCompound:mwFreebase	495.342
chemicalCompound:alogp	2.497
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	78.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.163
chemicalCompound:acdLogD	1.083
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	495.342
chemicalCompound:acdMostBpk...	6.325
chemicalCompound:chemblId	CHEMBL371333
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:427585
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:1603825, activity:1603826, activity:1603827, activity:1603828, activity:1603829, activity:1603830