General Information of the Compound
| Compound ID |
CP0882308
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| Compound Name |
N-Endo-3-(2-cyano-2,2-diphenylethyl)-8-methyl-8-(3-phenoxypropyl)-8-azoniabicyclo[3.2.1]octane bromide
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| Formula |
C32H37BrN2O
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| Molecular Weight |
545.565
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| Canonical SMILES |
C[N@+]1(CCCOc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C32H37N2O.BrH/c1-34(20-11-21-35-31-16-9-4-10-17-31)29-18-19-30(34)23-26(22-29)24-32(25-33,27-12-5-2-6-13-27)28-14-7-3-8-15-28;/h2-10,12-17,26,29-30H,11,18-24H2,1H3;1H/q+1;/p-1/t26-,29?,30?,34-;
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| InChIKey |
GGVKTRZGPZQDNC-MQZRBUFZSA-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