General Information of the Compound
| Compound ID |
CP0556812
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| Compound Name |
(1R,2S,5S)-6-benzyl-8-(cyclohexylmethyl)-6,8-diazabicyclo[3.2.2]nonan-2-ol
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| Structure |
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| Formula |
C21H32N2O
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| Molecular Weight |
328.5
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| Canonical SMILES |
O[C@H]1CC[C@H]2CN(CC3CCCCC3)[C@@H]1CN2Cc1ccccc1
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| InChI |
InChI=1S/C21H32N2O/c24-21-12-11-19-15-23(14-18-9-5-2-6-10-18)20(21)16-22(19)13-17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2/t19-,20+,21-/m0/s1
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| InChIKey |
GUJSXXTXLGLOJZ-HBMCJLEFSA-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