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Sources
3730
Source:
http://linkedlifedata.com/resource/chembl/compound/3730
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Subject
(
100
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:3730_Aldomet_TRADE_NAME
,
synonym:3730_Alpha-Methyldopa_OTHER
,
synonym:3730_MK-351_RESEARCH_CODE
,
synonym:3730_Methyldopa (Levorotatory)_INN
,
synonym:3730_Methyldopa_BAN
,
synonym:3730_Methyldopa_FDA_ALTERNATIVE_NAME
,
synonym:3730_Methyldopa_INN
,
synonym:3730_Methyldopa_JAN
,
synonym:3730_Methyldopa_TRADE_NAME
,
synonym:3730_Methyldopa_USAN
,
synonym:3730_Methyldopa_USP
chemicalCompound:standardIn...
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1
chemicalCompound:standardIn...
CJCSPKMFHVPWAR-JTQLQIEISA-N
chemicalCompound:canonicalS...
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
chemicalCompound:molecularF...
C10H13NO4
chemicalCompound:moleculeId
3730
chemicalCompound:mwFreebase
211.215
chemicalCompound:alogp
-1.778
chemicalCompound:hba
5
chemicalCompound:hbd
4
chemicalCompound:psa
103.78
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
2.279
chemicalCompound:acdLogP
-0.743
chemicalCompound:acdLogD
-3.26
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
chemicalCompound:fullMwt
211.215
chemicalCompound:acdMostBpk...
8.852
chemicalCompound:chemblId
CHEMBL459
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:103730
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
METHYLDOPA
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:61058
chemicalCompound:activity
activity:139970
,
activity:139971
,
activity:139972
,
activity:139973
,
activity:139974
,
activity:139975
,
activity:139976
,
activity:139977
,
activity:139978
,
activity:393333
,
activity:393334
,
activity:393335
,
activity:393336
,
activity:393337
,
activity:488918
,
activity:685161
,
activity:685162
,
activity:685163
,
activity:685164
,
activity:685165
,
activity:843110
,
activity:947770
,
activity:947771
,
activity:947772
,
activity:947773
,
activity:947774
,
activity:947775
,
activity:947776
,
activity:947777
,
activity:947778
,
activity:947779
,
activity:947780
,
activity:1191778
,
activity:2364180
,
activity:2590744
,
activity:2590788
,
activity:2672086
,
activity:2672087
,
activity:2978382
,
activity:2978510
,
activity:2979721
,
activity:2991956
,
activity:2992045
,
activity:2993386
,
activity:2994716
,
activity:2994733
,
activity:2994971
,
activity:3265061
,
activity:3282095
,
activity:3282139
,
activity:3282186
,
activity:3282189
,
activity:3282329
More...