General Information of the Compound
| Compound ID |
CP0405400
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| Compound Name |
8-benzyl-8-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-8-azonia-bicyclo[3.2.1]octane
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| Structure |
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| Formula |
C30H34N3O+
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| Molecular Weight |
452.622
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| Canonical SMILES |
C[N+]1(Cc2ccccc2)C2CCC1CC(C2)N1CC(NC1=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H33N3O/c1-33(21-23-11-5-2-6-12-23)27-17-18-28(33)20-26(19-27)32-22-30(31-29(32)34,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26-28H,17-22H2,1H3/p+1
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| InChIKey |
LTWQRFZUJAVEAS-UHFFFAOYSA-O
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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