726566

Source:http://linkedlifedata.com/resource/chembl/compound/726566

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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/C18H16N2O3/c1-10-5-11(2)17-12(6-10)7-14(20-17)18(21)19-13-3-4-15-16(8-13)23-9-22-15/h3-8,20H,9H2,1-2H3,(H,19,21)
chemicalCompound:standardIn...	AXXUGGLBNFJXQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)c2[nH]c(cc2c1)C(=O)Nc3ccc4OCOc4c3
chemicalCompound:molecularF...	C18H16N2O3
chemicalCompound:moleculeId	726566
chemicalCompound:mwFreebase	308.331
chemicalCompound:alogp	3.94
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.35
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.41
chemicalCompound:acdLogP	3.313
chemicalCompound:acdLogD	3.313
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	308.331
chemicalCompound:acdMostBpk...	1.045
chemicalCompound:chemblId	CHEMBL1302682
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:826566
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:3856533, activity:3948346, activity:4036472, activity:4515819, activity:4535494, activity:4627600, activity:4748408, activity:4790543, activity:4942802, activity:5349198, activity:5583872, activity:5691798, activity:5801812, activity:6905501, activity:7241213, activity:7371606