112342

Source:http://linkedlifedata.com/resource/chembl/compound/112342

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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/C21H23FN4O5/c1-3-30-20(28)17(9-23)14-6-7-25(11-14)19-5-4-15(8-18(19)22)26-12-16(31-21(26)29)10-24-13(2)27/h4-5,8,16H,3,6-7,10-12H2,1-2H3,(H,24,27)/b17-14-/t16-/m0/s1
chemicalCompound:standardIn...	OPQFBEINIZFJPX-GDGUIRGDSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C(=C/1\CCN(C1)c2ccc(cc2F)N3C[C@H](CNC(=O)C)OC3=O)\C#N
chemicalCompound:molecularF...	C21 H23 F N4 O5
chemicalCompound:moleculeId	112342
chemicalCompound:mwFreebase	430.43
chemicalCompound:alogp	1.818
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	111.96
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.467
chemicalCompound:acdLogD	0.466
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.43
chemicalCompound:acdMostBpk...	4.475
chemicalCompound:chemblId	CHEMBL308401
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212342
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:191868, activity:191869, activity:191870, activity:191871, activity:191872, activity:191873, activity:191874, activity:191875, activity:191876, activity:191877, activity:191878