174084

Source:http://linkedlifedata.com/resource/chembl/compound/174084

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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/C25H26FN5O6/c1-17(32)27-15-21-16-30(25(34)37-21)20-7-8-23(22(26)14-20)28-10-12-29(13-11-28)24(33)9-4-18-2-5-19(6-3-18)31(35)36/h2-9,14,21H,10-13,15-16H2,1H3,(H,27,32)/b9-4+/t21-/m0/s1
chemicalCompound:standardIn...	WHKCBVKIROLBDO-ZSIUJALASA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)\C=C\c4ccc(cc4)[N+](=O)[O-])c(F)c2
chemicalCompound:molecularF...	C25 H26 F N5 O6
chemicalCompound:moleculeId	174084
chemicalCompound:mwFreebase	511.502
chemicalCompound:alogp	2.45
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	128.01
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.86
chemicalCompound:acdLogD	1.86
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	511.502
chemicalCompound:acdMostBpk...	1.657
chemicalCompound:chemblId	CHEMBL104604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:274084
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:1281838, activity:1281839, activity:1281840, activity:1281841, activity:1281842, activity:1281843