General Information of the Compound
| Compound ID |
CP0440598
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| Compound Name |
((3R,4S)-4-(2-ethoxyphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
CCOc1ccccc1O[C@@H]1[C@@H](CNC)OCc2ccccc12
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| InChI |
InChI=1S/C19H23NO3/c1-3-21-16-10-6-7-11-17(16)23-19-15-9-5-4-8-14(15)13-22-18(19)12-20-2/h4-11,18-20H,3,12-13H2,1-2H3/t18-,19+/m1/s1
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| InChIKey |
FTQUSRCNRLUCRK-MOPGFXCFSA-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