General Information of the Compound
| Compound ID |
CP0919893
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| Compound Name |
(3-endo)-3-(2-Hydroxy-2,2-di-2-thienylethyl)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane Iodide
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| Formula |
C20H28INOS2
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| Molecular Weight |
489.488
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CCC[C@H]1C[C@@H](CC(O)(c1cccs1)c1cccs1)C2.[I-]
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| InChI |
InChI=1S/C20H28NOS2.HI/c1-21(2)16-6-3-7-17(21)13-15(12-16)14-20(22,18-8-4-10-23-18)19-9-5-11-24-19;/h4-5,8-11,15-17,22H,3,6-7,12-14H2,1-2H3;1H/q+1;/p-1/t15-,16+,17-;
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| InChIKey |
VTEBGQVQOOCNPJ-RNNWOUSISA-M
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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