General Information of the Compound
| Compound ID |
CP0509051
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| Compound Name |
(2S)-4-[(3,4-dimethoxyphenyl)methyl]-2-(phenoxymethyl)morpholine
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| Structure |
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| Formula |
C20H25NO4
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| Molecular Weight |
343.423
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| Canonical SMILES |
COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1OC
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| InChI |
InChI=1S/C20H25NO4/c1-22-19-9-8-16(12-20(19)23-2)13-21-10-11-24-18(14-21)15-25-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-15H2,1-2H3/t18-/m0/s1
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| InChIKey |
DHDOWMWDDOBJLW-SFHVURJKSA-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