General Information of the Compound
| Compound ID |
CP0652533
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| Compound Name |
(3-Dimethylcarbamoyloxy-phenyl)-trimethyl-ammonium bromide
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| Structure |
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| Formula |
C12H19BrN2O2
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| Molecular Weight |
303.2
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| Canonical SMILES |
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]
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| InChI |
InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
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| InChIKey |
LULNWZDBKTWDGK-UHFFFAOYSA-M
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| CAS |
114-80-7
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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