182342

Source:http://linkedlifedata.com/resource/chembl/compound/182342

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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/C29H17FN2O6/c1-37-25-10-7-17(14-23(25)32-27(33)20-8-5-18(29(35)36)12-21(20)28(32)34)26-31-22-13-16(6-9-24(22)38-26)15-3-2-4-19(30)11-15/h2-14H,1H3,(H,35,36)
chemicalCompound:standardIn...	DXRUBIVROOPRHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1N2C(=O)c3ccc(cc3C2=O)C(=O)O)c4oc5ccc(cc5n4)c6cccc(F)c6
chemicalCompound:molecularF...	C29H17FN2O6
chemicalCompound:moleculeId	182342
chemicalCompound:mwFreebase	508.453
chemicalCompound:alogp	5.226
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	109.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.309
chemicalCompound:acdLogP	5.018
chemicalCompound:acdLogD	1.915
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	508.453
chemicalCompound:acdMostBpk...	0.276
chemicalCompound:chemblId	CHEMBL419009
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282342
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:34285, activity:34286, activity:2224223