General Information of the Compound
| Compound ID |
CP0437991
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| Compound Name |
N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride
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| Structure |
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| Formula |
C19H27ClN2O3
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| Molecular Weight |
366.889
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| Canonical SMILES |
Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1
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| InChI |
InChI=1S/C19H26N2O3.ClH/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17;/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3;1H
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| InChIKey |
HINNLIOMVAVPKI-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