353913

Source:http://linkedlifedata.com/resource/chembl/compound/353913

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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/C19H13FN2O4/c1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10/h2-8,23H,9H2,1H3
chemicalCompound:standardIn...	XLWGCKMTRJTQLH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1c2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c(O)c4ncccc14
chemicalCompound:molecularF...	C19H13FN2O4
chemicalCompound:moleculeId	353913
chemicalCompound:mwFreebase	352.316
chemicalCompound:alogp	2.579
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	79.73
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.016
chemicalCompound:acdLogD	1.8
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	352.316
chemicalCompound:acdMostBpk...	8.374
chemicalCompound:chemblId	CHEMBL212921
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:453913
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:1759061, activity:1759062, activity:1759063, activity:1759136, activity:2920562