General Information of the Compound
| Compound ID |
CP0553098
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| Compound Name |
(1R,4S,7S)-2-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-7-ol
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| Structure |
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| Formula |
C24H32N2O
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| Molecular Weight |
364.533
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| Canonical SMILES |
O[C@H]1C[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1cccc2ccccc12
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| InChI |
InChI=1S/C24H32N2O/c27-24-13-21-16-26(14-18-7-2-1-3-8-18)23(24)17-25(21)15-20-11-6-10-19-9-4-5-12-22(19)20/h4-6,9-12,18,21,23-24,27H,1-3,7-8,13-17H2/t21-,23+,24-/m0/s1
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| InChIKey |
ZDHKZYYYAXUGJL-QTJGBDASSA-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