329381

Source:http://linkedlifedata.com/resource/chembl/compound/329381

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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/C20H17NO5/c1-26-14-7-8-17-15(9-14)16(18(22)10-19(23)20(24)25)12-21(17)11-13-5-3-2-4-6-13/h2-10,12,22H,11H2,1H3,(H,24,25)/b18-10-
chemicalCompound:standardIn...	WIVHNZHOGMVTJH-ZDLGFXPLSA-N
chemicalCompound:canonicalS...	COc1ccc2c(c1)c(cn2Cc3ccccc3)\C(=C\C(=O)C(=O)O)\O
chemicalCompound:molecularF...	C20 H17 N O5
chemicalCompound:moleculeId	329381
chemicalCompound:mwFreebase	351.353
chemicalCompound:alogp	3.332
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	88.76
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.754
chemicalCompound:acdLogP	3.855
chemicalCompound:acdLogD	0.076
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	351.353
chemicalCompound:chemblId	CHEMBL196689
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:429381
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:1610697, activity:1610698, activity:1610699, activity:1610700, activity:1610701, activity:1610702