General Information of the Compound
| Compound ID |
CP0049360
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| Compound Name |
(S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate
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| Synonyms |
Rivastigmine
Rivastigmine (transdermal patch)
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| Structure |
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| Formula |
C14H22N2O2
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| Molecular Weight |
250.342
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| Canonical SMILES |
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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| InChI |
InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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| InChIKey |
XSVMFMHYUFZWBK-NSHDSACASA-N
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| CAS |
123441-03-2
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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
Protein ID: PT00820, Acetylcholinesterase
Cell-based Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 4450 nM
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TI
LI
LO
TS
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Biochemical Assays
Clinical Information about the Compound