255947

Source:http://linkedlifedata.com/resource/chembl/compound/255947

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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:255947_Quinamm_TRADE_NAME, synonym:255947_Quinine_FDA_ALTERNATIVE_NAME, synonym:255947_Quinsan_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
chemicalCompound:standardIn...	LOUPRKONTZGTKE-WZBLMQSHSA-N
chemicalCompound:canonicalS...	COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
chemicalCompound:molecularF...	C20H24N2O2
chemicalCompound:moleculeId	255947
chemicalCompound:mwFreebase	324.417
chemicalCompound:alogp	2.733
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	45.59
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.796
chemicalCompound:acdLogP	2.823
chemicalCompound:acdLogD	0.98
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	324.417
chemicalCompound:acdMostBpk...	9.28
chemicalCompound:chemblId	CHEMBL170
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355947
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	QUININE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:15854
chemicalCompound:activity	activity:45695, activity:69367, activity:69368, activity:69369, activity:87337, activity:87338, activity:172169, activity:172170, activity:210073, activity:210074, activity:210075, activity:210076, activity:210077, activity:210078, activity:210079, activity:210080, activity:210081, activity:210082, activity:210083, activity:210084, activity:235825, activity:257941, activity:257942, activity:257943, activity:350530, activity:350531, activity:375206, activity:375207, activity:399927, activity:401507, activity:401508, activity:401509, activity:577925, activity:577926, activity:597912, activity:645192, activity:672466, activity:672467, activity:672468, activity:672469, activity:672470, activity:678334, activity:678335, activity:678336, activity:678337, activity:678338, activity:678339, activity:678340, activity:678341, activity:874667, activity:874668, activity:874669, activity:874670, activity:999770, activity:999771, activity:1058403, activity:1058404, activity:1058405, activity:1083736, activity:1231043, activity:1231044