General Information of the Compound
| Compound ID |
CP0469776
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| Compound Name |
N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
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| Structure |
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| Formula |
C17H23ClN2O3
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| Molecular Weight |
338.835
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| Canonical SMILES |
Cl.CN(CCOc1cc(COc2ccccc2)on1)CC1CC1
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| InChI |
InChI=1S/C17H22N2O3.ClH/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15;/h2-6,11,14H,7-10,12-13H2,1H3;1H
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| InChIKey |
NFGGGYAGYQIJAW-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