General Information of the Compound
| Compound ID |
CP0152488
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| Compound Name |
(1S,2R)-1-(2-ethylphenoxy)-2-((methylamino)methyl)-2,3-dihydro-1H-inden-2-ol
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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]1c2ccccc2C[C@@]1(O)CNC
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| InChI |
InChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3/t18-,19+/m0/s1
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| InChIKey |
OOXPOUDWMPWCQG-RBUKOAKNSA-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