General Information of the Compound
| Compound ID |
CP0906847
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| Compound Name |
(3-endo)-3-(2,2-Di-2-thienylethenyl)-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane Bromide
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| Formula |
C20H26BrNS2
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| Molecular Weight |
424.473
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CCC[C@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2.[Br-]
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| InChI |
InChI=1S/C20H26NS2.BrH/c1-21(2)16-6-3-7-17(21)13-15(12-16)14-18(19-8-4-10-22-19)20-9-5-11-23-20;/h4-5,8-11,14-17H,3,6-7,12-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17+;
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| InChIKey |
UKFNTLFRHBJXNS-ANGAXHOCSA-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