593811

Source:http://linkedlifedata.com/resource/chembl/compound/593811

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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/C18H17NO7/c1-24-16-9-12(10-17(25-2)18(16)26-3)15(21)6-4-11-8-13(19(22)23)5-7-14(11)20/h4-10,20H,1-3H3/b6-4+
chemicalCompound:standardIn...	QFWWGMAZQDMPCF-GQCTYLIASA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)\C=C\c2cc(ccc2O)[N+](=O)[O-]
chemicalCompound:molecularF...	C18H17NO7
chemicalCompound:moleculeId	593811
chemicalCompound:mwFreebase	359.33
chemicalCompound:alogp	3.305
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	110.81
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.074
chemicalCompound:acdLogP	2.339
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	359.33
chemicalCompound:chemblId	CHEMBL610624
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:693811
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:3086181, activity:3086221, activity:3086235, activity:3414329