114005

Source:http://linkedlifedata.com/resource/chembl/compound/114005

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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/C22H25FN4O5/c1-3-31-21(29)18(11-24)15-6-8-26(9-7-15)20-5-4-16(10-19(20)23)27-13-17(32-22(27)30)12-25-14(2)28/h4-5,10,17H,3,6-9,12-13H2,1-2H3,(H,25,28)/t17-/m0/s1
chemicalCompound:standardIn...	VHUCPMZFZUTSOD-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CCOC(=O)C(=C1CCN(CC1)c2ccc(cc2F)N3C[C@H](CNC(=O)C)OC3=O)C#N
chemicalCompound:molecularF...	C22 H25 F N4 O5
chemicalCompound:moleculeId	114005
chemicalCompound:mwFreebase	444.456
chemicalCompound:alogp	2.139
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	111.96
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.024
chemicalCompound:acdLogD	0.87
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	444.456
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL306103
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:214005
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:203589, activity:203590, activity:203591, activity:203592, activity:203593, activity:203594, activity:203595, activity:203596, activity:203597, activity:203598, activity:203599