800844

Source:http://linkedlifedata.com/resource/chembl/compound/800844

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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/C20H22ClN3O4/c1-13(23-24-20(26)10-14-7-5-4-6-8-14)9-19(25)22-16-12-17(27-2)15(21)11-18(16)28-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,24,26)
chemicalCompound:standardIn...	KXGTVCVXRSPMJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(NC(=O)CC(=NNC(=O)Cc2ccccc2)C)c(OC)cc1Cl
chemicalCompound:molecularF...	C20H22ClN3O4
chemicalCompound:moleculeId	800844
chemicalCompound:mwFreebase	403.859
chemicalCompound:alogp	2.621
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	89.02
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.388
chemicalCompound:acdLogP	3.084
chemicalCompound:acdLogD	3.084
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	403.859
chemicalCompound:acdMostBpk...	0.952
chemicalCompound:chemblId	CHEMBL1376960
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:900844
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:4091040, activity:4155076, activity:4759240, activity:6553046, activity:7432314