36682

Source:http://linkedlifedata.com/resource/chembl/compound/36682

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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/C17H20N2O6/c1-10-7-19(17(23)18-15(10)22)16-14(13(21)12(8-20)25-16)24-9-11-5-3-2-4-6-11/h2-7,12-14,16,20-21H,8-9H2,1H3,(H,18,22,23)
chemicalCompound:standardIn...	DATBKOIZQJYNAJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2OC(CO)C(O)C2OCc3ccccc3)C(=O)NC1=O
chemicalCompound:molecularF...	C17 H20 N2 O6
chemicalCompound:moleculeId	36682
chemicalCompound:mwFreebase	348.35
chemicalCompound:alogp	-0.012
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	108.33
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	1.463
chemicalCompound:acdLogD	1.459
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.35
chemicalCompound:chemblId	CHEMBL285105
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:136682
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:1084476, activity:1084477, activity:1084478, activity:1084479, activity:1084480