General Information of the Compound
| Compound ID |
CP0393803
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| Compound Name |
1-(2-(2-ethoxyphenyl)-1-(pyridin-3-yl)ethyl)piperazine
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| Structure |
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| Formula |
C19H25N3O
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| Molecular Weight |
311.429
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| Canonical SMILES |
CCOc1ccccc1CC(N1CCNCC1)c1cccnc1
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| InChI |
InChI=1S/C19H25N3O/c1-2-23-19-8-4-3-6-16(19)14-18(17-7-5-9-21-15-17)22-12-10-20-11-13-22/h3-9,15,18,20H,2,10-14H2,1H3
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| InChIKey |
FVLUAITUNFZGCJ-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