General Information of the Compound
| Compound ID |
CP0490635
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| Compound Name |
1-(2-naphthalen-2-yloxyethyl)-4-pyridin-2-ylpiperazine
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
C(CN1CCN(CC1)c1ccccn1)Oc1ccc2ccccc2c1
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| InChI |
InChI=1S/C21H23N3O/c1-2-6-19-17-20(9-8-18(19)5-1)25-16-15-23-11-13-24(14-12-23)21-7-3-4-10-22-21/h1-10,17H,11-16H2
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| InChIKey |
JLGLCCMJJSXVOH-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter