948620

Source:http://linkedlifedata.com/resource/chembl/compound/948620

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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/C14H9F3N2O5/c1-7-6-10(11(19(22)23)12(20)18-7)24-13(21)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,18,20)
chemicalCompound:standardIn...	MXULEUHRIHWNHM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(OC(=O)c2ccc(cc2)C(F)(F)F)c(c(O)n1)[N+](=O)[O-]
chemicalCompound:molecularF...	C14H9F3N2O5
chemicalCompound:moleculeId	948620
chemicalCompound:mwFreebase	342.227
chemicalCompound:alogp	3.527
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	105.24
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.016
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.227
chemicalCompound:acdMostBpk...	6.391
chemicalCompound:chemblId	CHEMBL1524736
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1048620
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:4440824, activity:5727981, activity:5807631, activity:6672214, activity:6784207, activity:6968694, activity:7115906