327615

Source:http://linkedlifedata.com/resource/chembl/compound/327615

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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/C21H25FN6O5/c1-14(29)23-11-17-13-27(21(30)33-17)16-3-4-19(18(22)10-16)26-8-6-25(7-9-26)12-15-2-5-20(24-15)28(31)32/h2-5,10,17,24H,6-9,11-13H2,1H3,(H,23,29)/t17-/m0/s1
chemicalCompound:standardIn...	BPDZKFZQZWYRRF-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(Cc4ccc([nH]4)[N+](=O)[O-])CC3)c(F)c2
chemicalCompound:molecularF...	C21 H25 F N6 O5
chemicalCompound:moleculeId	327615
chemicalCompound:mwFreebase	460.459
chemicalCompound:alogp	1.938
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	126.72
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.466
chemicalCompound:acdLogD	-0.554
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.459
chemicalCompound:acdMostBpk...	6.39
chemicalCompound:chemblId	CHEMBL363208
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:427615
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:1603881, activity:1603882, activity:1603883, activity:1603884, activity:1603885, activity:1603886