546122

Source:http://linkedlifedata.com/resource/chembl/compound/546122

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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:2355
chemicalCompound:synonym	synonym:546122_Atabrine_TRADE_NAME, synonym:546122_Erion_TRADE_NAME, synonym:546122_Mepacrine_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C23H30ClN3O.2ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H
chemicalCompound:standardIn...	UDKVBVICMUEIKS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13
chemicalCompound:molecularF...	C23H32Cl3N3O
chemicalCompound:moleculeId	546122
chemicalCompound:mwFreebase	399.957
chemicalCompound:alogp	5.666
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	37.39
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.592
chemicalCompound:acdLogD	2.293
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	472.879
chemicalCompound:acdMostBpk...	10.471
chemicalCompound:chemblId	CHEMBL554190
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646122
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	QUINACRINE DIHYDROCHLORIDE
chemicalCompound:activity	activity:452191, activity:452192, activity:452193, activity:452194, activity:452195, activity:452196, activity:2142773, activity:2142776, activity:3473429, activity:3480562, activity:3480563, activity:3480564, activity:3480565, activity:3480566, activity:3480567, activity:3480568, activity:3482616, activity:3482697, activity:3483481, activity:3483562, activity:3483642, activity:3483723, activity:3483804, activity:3615610, activity:3631667, activity:3636012, activity:3645806, activity:3673686, activity:3693054, activity:3693367, activity:3695207, activity:3696403, activity:3711535, activity:3726463, activity:3741968, activity:3765586, activity:3779361, activity:3779613, activity:3780320, activity:3794981, activity:3798833, activity:3804130, activity:3869127, activity:3879585, activity:3897174, activity:3920481, activity:3933013, activity:3940496, activity:3947655, activity:3973931, activity:3988112, activity:4016787, activity:4024473, activity:4045033, activity:4084738, activity:4112684, activity:4178984, activity:4278561, activity:4331018, activity:4358368, activity:4402468, activity:4410017