329366

Source:http://linkedlifedata.com/resource/chembl/compound/329366

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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/C22H21NO5/c1-3-28-22(26)21(25)12-20(24)18-14-23(13-15-7-5-4-6-8-15)19-10-9-16(27-2)11-17(18)19/h4-12,14,24H,3,13H2,1-2H3/b20-12-
chemicalCompound:standardIn...	YHOHWUVBNQQPKE-NDENLUEZSA-N
chemicalCompound:canonicalS...	CCOC(=O)C(=O)\C=C(/O)\c1cn(Cc2ccccc2)c3ccc(OC)cc13
chemicalCompound:molecularF...	C22 H21 N O5
chemicalCompound:moleculeId	329366
chemicalCompound:mwFreebase	379.406
chemicalCompound:alogp	3.907
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	77.76
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.284
chemicalCompound:acdLogP	4.884
chemicalCompound:acdLogD	4.831
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	379.406
chemicalCompound:chemblId	CHEMBL194241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:429366
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:1610661, activity:1610662, activity:1610663, activity:1610664, activity:1610665, activity:1610666