General Information of the Compound
| Compound ID |
CP0873787
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| Compound Name |
3-(2-cyano-2,2-diphenylethyl)-8-(cyclohexylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
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| Formula |
C30H39BrN2
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| Molecular Weight |
507.56
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| Canonical SMILES |
C[N+]1(CC2CCCCC2)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C30H39N2.BrH/c1-32(22-24-11-5-2-6-12-24)28-17-18-29(32)20-25(19-28)21-30(23-31,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h3-4,7-10,13-16,24-25,28-29H,2,5-6,11-12,17-22H2,1H3;1H/q+1;/p-1/t25-,28+,29-,32?;
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| InChIKey |
XLYWGZFAXXMCIH-LCQKPEITSA-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