General Information of the Compound
Compound ID |
CP0539939
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Compound Name |
(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane
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Structure |
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Formula |
C20H24N2O
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Molecular Weight |
308.425
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Canonical SMILES |
COc1ccccc1CN1CN2CCC[C@H]1[C@@H]2c1ccccc1
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InChI |
InChI=1S/C20H24N2O/c1-23-19-12-6-5-10-17(19)14-22-15-21-13-7-11-18(22)20(21)16-8-3-2-4-9-16/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3/t18-,20-/m0/s1
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InChIKey |
FIBILZWMDFTWPK-ICSRJNTNSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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