662

Source:http://linkedlifedata.com/resource/chembl/compound/662

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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/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2
chemicalCompound:standardIn...	JLSNWEWWUSOSMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCOCOCc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1
chemicalCompound:molecularF...	C21H26Cl2N2O6
chemicalCompound:moleculeId	662
chemicalCompound:mwFreebase	473.347
chemicalCompound:alogp	4.005
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	95.54
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.528
chemicalCompound:acdLogD	3.528
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	473.347
chemicalCompound:acdMostBpk...	3.765
chemicalCompound:chemblId	CHEMBL6448
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100662
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47729
chemicalCompound:activity	activity:704686, activity:704687, activity:704688, activity:704689