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Sources
6643
Source:
http://linkedlifedata.com/resource/chembl/compound/6643
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Subject
(
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of
many
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Inference
Explicit and implicit
Explicit only
Implicit only
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
More...