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rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
synonym:167875_Edrophone Chloride_OTHER,
synonym:167875_Edrophonium Chloride_BAN,
synonym:167875_Edrophonium Chloride_INN,
synonym:167875_Edrophonium Chloride_JAN,
synonym:167875_Edrophonium Chloride_USAN,
synonym:167875_Edrophonium Chloride_USP,
synonym:167875_Edrophonium chloride preservative free_TRADE_NAME,
synonym:167875_Edrophonium chloride_FDA_ALTERNATIVE_NAME,
synonym:167875_Edrophonium chloride_TRADE_NAME,
synonym:167875_Enlon_TRADE_NAME,
synonym:167875_Reversol_TRADE_NAME,
synonym:167875_Tensilon preservative free_TRADE_NAME,
synonym:167875_Tensilon_TRADE_NAME
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|
chemicalCompound:standardIn... |
InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
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|
chemicalCompound:standardIn... |
BXKDSDJJOVIHMX-UHFFFAOYSA-N
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|
chemicalCompound:canonicalS... |
[Cl-].CC[N+](C)(C)c1cccc(O)c1
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chemicalCompound:molecularF... |
C10 H16 N O . Cl
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chemicalCompound:moleculeId |
167875
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|
chemicalCompound:mwFreebase |
166.24
|
|
chemicalCompound:alogp |
0.648
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
20.23
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|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
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|
chemicalCompound:numRo5viol... |
0
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chemicalCompound:medChemFri... |
Y
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chemicalCompound:acdMostApk... |
7.846
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chemicalCompound:acdLogP |
-2.177
|
|
chemicalCompound:acdLogD |
-1.925
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
201.693
|
|
chemicalCompound:chemblId |
CHEMBL1128
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
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|
chemicalCompound:structureT... |
|
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chemicalCompound:chebi |
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chemicalCompound:moleculeTy... |
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chemicalCompound:oral |
No
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chemicalCompound:parenteral |
Yes
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chemicalCompound:topical |
No
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chemicalCompound:blackBoxWa... |
No
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chemicalCompound:naturalPro... |
No
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chemicalCompound:proDrug |
No
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chemicalCompound:prefName |
EDROPHONIUM CHLORIDE
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chemicalCompound:chebiParen... |
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chemicalCompound:activity |
activity:1105452,
activity:1105453,
activity:1105454,
activity:1105455,
activity:1105456,
activity:1105457,
activity:3492383,
activity:3695025,
activity:3873994,
activity:4537539,
activity:4741932,
activity:4909943,
activity:5195501,
activity:5195524,
activity:5195547,
activity:5195570,
activity:5195576,
activity:5315989,
activity:5316602,
activity:5855562,
activity:6150771,
activity:6150792,
activity:6150813,
activity:6150819,
activity:6150825,
activity:6565219,
activity:7193360,
activity:7452469,
activity:7466660,
activity:7470719,
activity:7487966,
activity:7492764,
activity:7499270,
activity:7522971,
activity:7840158
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