General Information of the Compound
| Compound ID |
CP0830568
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| Compound Name |
(S)-2-((S)-(2,3-difluorophenoxy)(phenyl)methyl)morpholine
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| Structure |
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| Formula |
C17H17F2NO2
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| Molecular Weight |
305.324
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| Canonical SMILES |
Fc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1F
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| InChI |
InChI=1S/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2/t15-,17-/m0/s1
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| InChIKey |
IJMPFBJUROFOGZ-RDJZCZTQSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter