General Information of the Compound
| Compound ID |
CP0808299
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| Compound Name |
3-((3,4-Dichlorophenoxy)(naphthalen-2-yl)methyl)azetidine hydrochloride
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| Structure |
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| Formula |
C20H18Cl3NO
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| Molecular Weight |
394.729
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| Canonical SMILES |
Cl.Clc1ccc(OC(c2ccc3ccccc3c2)C2CNC2)cc1Cl
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| InChI |
InChI=1S/C20H17Cl2NO.ClH/c21-18-8-7-17(10-19(18)22)24-20(16-11-23-12-16)15-6-5-13-3-1-2-4-14(13)9-15;/h1-10,16,20,23H,11-12H2;1H
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| InChIKey |
XKYAZKCRLILWNB-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter