1012959

Source:http://linkedlifedata.com/resource/chembl/compound/1012959

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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/C22H22N2O5/c1-27-19-7-3-2-6-18(19)24-22-17(21(26)23-13-16-5-4-10-28-16)11-14-8-9-15(25)12-20(14)29-22/h2-3,6-9,11-12,16,25H,4-5,10,13H2,1H3,(H,23,26)
chemicalCompound:standardIn...	ZUQOTSUCEFVBFP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N=C2Oc3cc(O)ccc3C=C2C(=O)NCC4CCCO4
chemicalCompound:molecularF...	C22H22N2O5
chemicalCompound:moleculeId	1012959
chemicalCompound:mwFreebase	394.42
chemicalCompound:alogp	3.005
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	89.38
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.768
chemicalCompound:acdLogP	2.858
chemicalCompound:acdLogD	2.829
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	394.42
chemicalCompound:acdMostBpk...	2.444
chemicalCompound:chemblId	CHEMBL1589075
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1112959
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:3714880, activity:3735670, activity:3765271, activity:3772440, activity:3785688, activity:3801388, activity:3834049, activity:3937514, activity:3964603, activity:4058337, activity:4188589, activity:4365331, activity:4388104, activity:4490851, activity:4544333, activity:4592683, activity:4635011, activity:4707320, activity:4817235, activity:4843700, activity:4861110, activity:4893318, activity:4936213, activity:4949092, activity:5062324, activity:5496383, activity:5517816, activity:5638564, activity:5945105, activity:6659466, activity:6748061, activity:6869625, activity:7242135, activity:7267951, activity:7563812