183800

Source:http://linkedlifedata.com/resource/chembl/compound/183800

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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/C12H12FN3O/c13-9-7-8-10(17)3-4-14-11(8)15-12(9)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,14,15,17)
chemicalCompound:standardIn...	WSZDSIFFDOBBGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccnc2nc(N3CCCC3)c(F)cc12
chemicalCompound:molecularF...	C12 H12 F N3 O
chemicalCompound:moleculeId	183800
chemicalCompound:mwFreebase	233.242
chemicalCompound:alogp	2.187
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.25
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.376
chemicalCompound:acdLogP	3.114
chemicalCompound:acdLogD	0.69
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	233.242
chemicalCompound:acdMostBpk...	8.846
chemicalCompound:chemblId	CHEMBL111668
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:283800
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:548651