6643

Source:http://linkedlifedata.com/resource/chembl/compound/6643

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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:6643_BRL-29060_RESEARCH_CODE, synonym:6643_Paroxetine_BAN, synonym:6643_Paroxetine_FDA_ALTERNATIVE_NAME, synonym:6643_Paroxetine_INN, synonym:6643_Paroxetine_USAN, synonym:6643_Paxil_OTHER, synonym:6643_Paxil_TRADE_NAME, synonym:6643_Pexeva_OTHER
chemicalCompound:standardIn...	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
chemicalCompound:standardIn...	AHOUBRCZNHFOSL-YOEHRIQHSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3
chemicalCompound:molecularF...	C19H20FNO3
chemicalCompound:moleculeId	6643
chemicalCompound:mwFreebase	329.365
chemicalCompound:alogp	3.229
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	39.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.701
chemicalCompound:acdLogD	1.479
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	329.365
chemicalCompound:acdMostBpk...	9.682
chemicalCompound:chemblId	CHEMBL490
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106643
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PAROXETINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7936
chemicalCompound:firstAppro...	1992
chemicalCompound:activity	activity:45410, activity:54524, activity:94926, activity:163255, activity:163256, activity:163257, activity:163258, activity:163259, activity:163260, activity:163261, activity:192910, activity:192911, activity:192912, activity:192913, activity:192914, activity:192915, activity:195863, activity:195864, activity:195865, activity:195866, activity:195867, activity:416803, activity:416804, activity:416805, activity:442769, activity:442770, activity:442771, activity:458599, activity:458600, activity:458601, activity:458602, activity:458603, activity:458604, activity:600387, activity:890768, activity:890769, activity:890770, activity:890771, activity:1110065, activity:1110066, activity:1110067, activity:1110068, activity:1110069, activity:1140041, activity:1235612, activity:1235613, activity:1608923, activity:1608924, activity:1608925, activity:1921190, activity:1921214, activity:1991181, activity:2062721, activity:2062781, activity:2078696, activity:2078709