676354

Source:http://linkedlifedata.com/resource/chembl/compound/676354

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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:6332
chemicalCompound:standardIn...	InChI=1S/C25H33FN2O4.2ClH/c1-29-23-16-19-4-3-14-32-25(22(19)17-24(23)30-2)18-31-15-13-27-9-11-28(12-10-27)21-7-5-20(26)6-8-21;;/h5-8,16-17,25H,3-4,9-15,18H2,1-2H3;2*1H
chemicalCompound:standardIn...	QZBCUZXPVPOWIV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.COc1cc2CCCOC(COCCN3CCN(CC3)c4ccc(F)cc4)c2cc1OC
chemicalCompound:molecularF...	C25H35Cl2FN2O4
chemicalCompound:moleculeId	676354
chemicalCompound:mwFreebase	444.539
chemicalCompound:alogp	4.003
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	43.4
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.96
chemicalCompound:acdLogD	2.868
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	517.461
chemicalCompound:acdMostBpk...	7.007
chemicalCompound:chemblId	CHEMBL1202403
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776354
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:707734, activity:707735