General Information of the Compound
| Compound ID |
CP0935241
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| Compound Name |
3-(2-cyano-2,2-diphenylethyl)-8-(hex-5-enyl)-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
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| Formula |
C29H37BrN2
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| Molecular Weight |
493.533
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| Canonical SMILES |
C=CCCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C29H37N2.BrH/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26;/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3;1H/q+1;/p-1/t24-,27+,28-,31?;
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| InChIKey |
RUFDCRHFGITFQH-DLTGYTIASA-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