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Sources
115
Source:
http://linkedlifedata.com/resource/chembl/compound/115
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Subject
(
100
of
many
)
Predicate
Object
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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:115_Habitrol_TRADE_NAME
,
synonym:115_Nicoderm CQ_TRADE_NAME
,
synonym:115_Nicotine_FDA_ALTERNATIVE_NAME
,
synonym:115_Nicotine_TRADE_NAME
,
synonym:115_Nicotine_USAN
,
synonym:115_Nicotine_USP
,
synonym:115_Nicotrol Inhaler_TRADE_NAME
,
synonym:115_Nicotrol NS_TRADE_NAME
,
synonym:115_Nicotrol_TRADE_NAME
,
synonym:115_Prostep_TRADE_NAME
chemicalCompound:standardIn...
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
chemicalCompound:standardIn...
SNICXCGAKADSCV-JTQLQIEISA-N
chemicalCompound:canonicalS...
CN1CCC[C@H]1c2cccnc2
chemicalCompound:molecularF...
C10H14N2
chemicalCompound:moleculeId
115
chemicalCompound:mwFreebase
162.232
chemicalCompound:alogp
1.242
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
16.13
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.57
chemicalCompound:acdLogD
-0.617
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
162.232
chemicalCompound:acdMostBpk...
8
chemicalCompound:chemblId
CHEMBL3
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100115
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
Yes
chemicalCompound:parenteral
No
chemicalCompound:topical
Yes
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
NICOTINE
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:17688
chemicalCompound:firstAppro...
1996
chemicalCompound:activity
activity:88888
,
activity:88889
,
activity:88890
,
activity:88891
,
activity:88892
,
activity:88893
,
activity:88894
,
activity:88895
,
activity:88896
,
activity:88897
,
activity:88898
,
activity:88899
,
activity:88900
,
activity:88901
,
activity:88902
,
activity:88903
,
activity:88904
,
activity:88905
,
activity:102322
,
activity:102323
,
activity:102324
,
activity:102325
,
activity:110046
,
activity:110047
,
activity:110048
,
activity:110049
,
activity:110050
,
activity:110051
,
activity:110052
,
activity:110053
,
activity:110054
,
activity:110055
,
activity:110056
,
activity:113507
,
activity:113508
,
activity:113509
,
activity:113510
,
activity:113511
,
activity:113512
,
activity:189231
,
activity:199971
,
activity:199972
,
activity:199973
,
activity:201691
,
activity:221378
,
activity:233291
,
activity:233292
,
activity:246683
,
activity:246684
,
activity:273309
,
activity:273310
,
activity:273311
,
activity:300830
,
activity:300831
More...