6579

Source:http://linkedlifedata.com/resource/chembl/compound/6579

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:6579_Aralen_OTHER, synonym:6579_Aralen_TRADE_NAME, synonym:6579_Chlorochine_OTHER, synonym:6579_Chloroquine_BAN, synonym:6579_Chloroquine_FDA_ALTERNATIVE_NAME, synonym:6579_Chloroquine_INN, synonym:6579_Chloroquine_USAN, synonym:6579_Chloroquine_USP, synonym:6579_Malaquin_TRADE_NAME, synonym:6579_NSC-187208_RESEARCH_CODE, synonym:6579_Nivaquine_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
chemicalCompound:standardIn...	WHTVZRBIWZFKQO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
chemicalCompound:molecularF...	C18H26ClN3
chemicalCompound:moleculeId	6579
chemicalCompound:mwFreebase	319.872
chemicalCompound:alogp	4.345
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	28.16
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.412
chemicalCompound:acdLogD	1.588
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	319.872
chemicalCompound:acdMostBpk...	10.474
chemicalCompound:chemblId	CHEMBL76
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106579
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CHLOROQUINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3638
chemicalCompound:activity	activity:55550, activity:55551, activity:55552, activity:55553, activity:57009, activity:64583, activity:64584, activity:65056, activity:65057, activity:65058, activity:74387, activity:74388, activity:91904, activity:93169, activity:93170, activity:93171, activity:110104, activity:126523, activity:129458, activity:129459, activity:129460, activity:129461, activity:142138, activity:142139, activity:142140, activity:142141, activity:142142, activity:142143, activity:142144, activity:142145, activity:142146, activity:142147, activity:142148, activity:142149, activity:142150, activity:142151, activity:142152, activity:142153, activity:142154, activity:152001, activity:152002, activity:152003, activity:191125, activity:191126, activity:191127, activity:191128, activity:191129, activity:193405, activity:193406, activity:193407, activity:193408, activity:193409, activity:193410, activity:193411