General Information of the Compound
| Compound ID |
CP0440770
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| Compound Name |
(3-Benzhydryl-bicyclo[2.2.2]oct-2-yl)-(2-methoxy-benzyl)-amine
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| Structure |
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| Formula |
C29H33NO
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| Molecular Weight |
411.589
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| Canonical SMILES |
COc1ccccc1CN[C@H]1C2CCC(CC2)[C@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H33NO/c1-31-26-15-9-8-14-25(26)20-30-29-24-18-16-23(17-19-24)28(29)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23-24,27-30H,16-20H2,1H3/t23?,24?,28-,29-/m0/s1
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| InChIKey |
MNBGJRGNTDGFDU-SOVOJBPTSA-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