General Information of the Compound
| Compound ID |
CP0477459
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| Compound Name |
(2R,3R)-2-benzhydryl-N-(2-iodophenyl)-1-azabicyclo[2.2.2]octan-3-amine
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| Structure |
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| Formula |
C26H27IN2
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| Molecular Weight |
494.42
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| Canonical SMILES |
Ic1ccccc1N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H27IN2/c27-22-13-7-8-14-23(22)28-25-21-15-17-29(18-16-21)26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24-26,28H,15-18H2/t25-,26-/m1/s1
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| InChIKey |
LRCLUELMHULASC-CLJLJLNGSA-N
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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