553533

Source:http://linkedlifedata.com/resource/chembl/compound/553533

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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:47509
chemicalCompound:standardIn...	InChI=1S/C22H31Cl2N3O.2BrH/c1-4-27(5-2,6-3)16-8-13-26-14-11-19(12-15-26)17-25-28-18-20-21(23)9-7-10-22(20)24;;/h7,9-12,14-15,17H,4-6,8,13,16,18H2,1-3H3;2*1H/q+2;;/p-2/b25-17+;;
chemicalCompound:standardIn...	VCMWIRDJZWDNSD-OKUPSQOASA-L
chemicalCompound:canonicalS...	[Br-].[Br-].CC[N+](CC)(CC)CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
chemicalCompound:molecularF...	C22H31Br2Cl2N3O
chemicalCompound:moleculeId	553533
chemicalCompound:mwFreebase	424.407
chemicalCompound:alogp	4.105
chemicalCompound:hba	0
chemicalCompound:hbd	11
chemicalCompound:psa	25.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-1.364
chemicalCompound:acdLogD	-1.364
chemicalCompound:fullMwt	584.215
chemicalCompound:chemblId	CHEMBL539621
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653533
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:1291344, activity:1291345, activity:1291346, activity:1291347