General Information of the Compound
| Compound ID |
CP0509050
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| Compound Name |
(2S)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-(phenoxymethyl)morpholine
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| Structure |
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| Formula |
C19H19F2NO4
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| Molecular Weight |
363.36
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| Canonical SMILES |
FC1(F)Oc2ccc(CN3CCO[C@H](COc4ccccc4)C3)cc2O1
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| InChI |
InChI=1S/C19H19F2NO4/c20-19(21)25-17-7-6-14(10-18(17)26-19)11-22-8-9-23-16(12-22)13-24-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
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| InChIKey |
HROCJLXBKIIIQN-INIZCTEOSA-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