676356

Source:http://linkedlifedata.com/resource/chembl/compound/676356

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:6444
chemicalCompound:standardIn...	InChI=1S/C24H33N3O4.ClH/c1-28-21-16-19-6-5-14-31-23(20(19)17-22(21)29-2)18-30-15-13-26-9-11-27(12-10-26)24-7-3-4-8-25-24;/h3-4,7-8,16-17,23H,5-6,9-15,18H2,1-2H3;1H
chemicalCompound:standardIn...	DMNQBKDIINFYMS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cc2CCCOC(COCCN3CCN(CC3)c4ccccn4)c2cc1OC
chemicalCompound:molecularF...	C24H34ClN3O4
chemicalCompound:moleculeId	676356
chemicalCompound:mwFreebase	427.536
chemicalCompound:alogp	3.186
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	56.29
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.376
chemicalCompound:acdLogD	1.524
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	463.997
chemicalCompound:acdMostBpk...	8.428
chemicalCompound:chemblId	CHEMBL1202405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776356
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:699945, activity:699946