General Information of the Compound
| Compound ID |
CP0332383
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| Compound Name |
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
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| Synonyms |
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dichlorobenzo
1alphaH,5alphaH-Tropan-3alpha-yl 3,5-dichlorobenzoate
3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
3-Tropanyl-3,5-dichlorobenzoate
40796-97-2
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate
BEMESETRON
Bemesetron [USAN:INN]
Bemesetronum [INN-Latin]
C15H17Cl2NO2
CHEMBL376379
MDL 72222
MDL-72222
SR-01000075587
Tropanyl 3,5-dichlorobenzoate
Tropyl 3,5-dichlorobenzoate
endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3,5-dichlorobenzoate
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| Structure |
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| Formula |
C15H17Cl2NO2
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| Molecular Weight |
314.212
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14?
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| InChIKey |
MNJNPLVXBISNSX-PBWFPOADSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound