General Information of the Compound
| Compound ID |
CP0403945
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| Compound Name |
N,N'-bis[2-[bis(4-fluorophenyl)methoxy]ethyl]-N,N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C34H36F4N2O2
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| Molecular Weight |
580.666
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| Canonical SMILES |
CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3
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| InChIKey |
LDCWRCFCYHTIGC-UHFFFAOYSA-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