General Information of the Compound
| Compound ID |
CP0311754
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| Compound Name |
((3R,4R)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
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| Structure |
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| Formula |
C19H23NO2
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| Molecular Weight |
297.398
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| Canonical SMILES |
CCc1ccccc1O[C@@H]1[C@H](CNC)COc2ccccc12
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| InChI |
InChI=1S/C19H23NO2/c1-3-14-8-4-6-10-17(14)22-19-15(12-20-2)13-21-18-11-7-5-9-16(18)19/h4-11,15,19-20H,3,12-13H2,1-2H3/t15-,19-/m1/s1
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| InChIKey |
VVQIWKYSMSGPNS-DNVCBOLYSA-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