676357

Source:http://linkedlifedata.com/resource/chembl/compound/676357

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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:6479
chemicalCompound:standardIn...	InChI=1S/C20H32N2O4.2ClH/c1-21-6-8-22(9-7-21)10-12-25-15-20-17-14-19(24-3)18(23-2)13-16(17)5-4-11-26-20;;/h13-14,20H,4-12,15H2,1-3H3;2*1H
chemicalCompound:standardIn...	GYFHPYQSNXIMRR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.COc1cc2CCCOC(COCCN3CCN(C)CC3)c2cc1OC
chemicalCompound:molecularF...	C20H34Cl2N2O4
chemicalCompound:moleculeId	676357
chemicalCompound:mwFreebase	364.479
chemicalCompound:alogp	2.125
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	43.4
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.141
chemicalCompound:acdLogD	0.679
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.401
chemicalCompound:acdMostBpk...	7.593
chemicalCompound:chemblId	CHEMBL1202406
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776357
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:703798, activity:703799