676355

Source:http://linkedlifedata.com/resource/chembl/compound/676355

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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:6342
chemicalCompound:standardIn...	InChI=1S/C26H36N2O5.2ClH/c1-29-23-9-5-4-8-22(23)28-12-10-27(11-13-28)14-16-32-19-26-21-18-25(31-3)24(30-2)17-20(21)7-6-15-33-26;;/h4-5,8-9,17-18,26H,6-7,10-16,19H2,1-3H3;2*1H
chemicalCompound:standardIn...	LZYFZIXHEPWTAR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.COc1cc2CCCOC(COCCN3CCN(CC3)c4ccccc4OC)c2cc1OC
chemicalCompound:molecularF...	C26H38Cl2N2O5
chemicalCompound:moleculeId	676355
chemicalCompound:mwFreebase	456.574
chemicalCompound:alogp	3.781
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	52.63
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.755
chemicalCompound:acdLogD	2.532
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	529.496
chemicalCompound:acdMostBpk...	7.04
chemicalCompound:chemblId	CHEMBL1202404
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776355
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:687749, activity:687750