1150559

Source:http://linkedlifedata.com/resource/chembl/compound/1150559

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:98768
chemicalCompound:standardIn...	InChI=1S/C12H15N3.C2HF3O2/c1-15-11-2-3-12(15)5-9(4-11)10-6-13-8-14-7-10;3-2(4,5)1(6)7/h4,6-8,11-12H,2-3,5H2,1H3;(H,6,7)
chemicalCompound:standardIn...	VQYDJVHVGPBMIA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C2CCC1C=C(C2)c3cncnc3.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C14H16F3N3O2
chemicalCompound:moleculeId	1150559
chemicalCompound:mwFreebase	201.268
chemicalCompound:alogp	1.146
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.255
chemicalCompound:acdLogD	0.407
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.291
chemicalCompound:acdMostBpk...	8.39
chemicalCompound:chemblId	CHEMBL1783888
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1250559
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:6227854, activity:6227866, activity:6227878, activity:6227888, activity:6227900, activity:6227910, activity:6227922, activity:6227938, activity:6227950, activity:6227960, activity:6227969