General Information of the Compound
| Compound ID |
CP0439256
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| Compound Name |
(+/-)-Erythro--3-(ethylamino)-1-(3-methyl-1H-indol-1-yl)-1-phenylpropan-2-ol
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| Structure |
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| Formula |
C20H24N2O
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| Molecular Weight |
308.425
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| Canonical SMILES |
CCNC[C@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12
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| InChI |
InChI=1S/C20H24N2O/c1-3-21-13-19(23)20(16-9-5-4-6-10-16)22-14-15(2)17-11-7-8-12-18(17)22/h4-12,14,19-21,23H,3,13H2,1-2H3/t19-,20-/m0/s1
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| InChIKey |
XUWDFILRONYSDW-PMACEKPBSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter