General Information of the Compound
| Compound ID |
CP0407294
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| Compound Name |
ethyl (2R,3S)-3-[bis(4-fluorophenyl)methoxy]-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C33H34F2N2O3
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| Molecular Weight |
544.642
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| Canonical SMILES |
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H34F2N2O3/c1-2-39-33(38)31-29-16-15-26(37(29)18-17-23-20-36-28-6-4-3-5-27(23)28)19-30(31)40-32(21-7-11-24(34)12-8-21)22-9-13-25(35)14-10-22/h3-14,20,26,29-32,36H,2,15-19H2,1H3/t26?,29?,30-,31+/m0/s1
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| InChIKey |
LQMGKXYFUDTDEN-FOMRGXAKSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter