General Information of the Compound
| Compound ID |
CP0455224
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| Compound Name |
(+/-)-Erythro--3-amino-1-(3-methyl-1H-indol-1-yl)-1-phenylpropan-2-ol
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| Structure |
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| Formula |
C18H20N2O
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| Molecular Weight |
280.371
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| Canonical SMILES |
Cc1cn([C@H]([C@@H](O)CN)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C18H20N2O/c1-13-12-20(16-10-6-5-9-15(13)16)18(17(21)11-19)14-7-3-2-4-8-14/h2-10,12,17-18,21H,11,19H2,1H3/t17-,18-/m0/s1
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| InChIKey |
SNORKSVJXFFHHB-ROUUACIJSA-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