170842

Source:http://linkedlifedata.com/resource/chembl/compound/170842

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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/C19H22FN3O3/c1-10-16-13(12-2-3-12)6-14(19(25)26)18(24)23(16)9-15(20)17(10)22-5-4-11(7-21)8-22/h6,9,11-12H,2-5,7-8,21H2,1H3,(H,25,26)
chemicalCompound:standardIn...	VFTKROGUXCUSEX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(N2CCC(CN)C2)C(=CN3C(=O)C(=CC(=C13)C4CC4)C(=O)O)F
chemicalCompound:molecularF...	C19 H22 F N3 O3
chemicalCompound:moleculeId	170842
chemicalCompound:mwFreebase	359.395
chemicalCompound:alogp	-2.44
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.361
chemicalCompound:acdLogP	3.191
chemicalCompound:acdLogD	0.533
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	359.395
chemicalCompound:acdMostBpk...	10.119
chemicalCompound:chemblId	CHEMBL104810
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270842
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:1130006, activity:1130007, activity:1130008, activity:1130009, activity:1130010, activity:1130011, activity:1130012, activity:1130013, activity:1272332, activity:1272333, activity:1272334, activity:1272335, activity:1272336, activity:1272337, activity:1272338, activity:1272339, activity:1272340, activity:1272341, activity:1272342, activity:1272343, activity:1272344, activity:1272345, activity:1272346