General Information of the Compound
| Compound ID |
CP0527787
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| Compound Name |
5-[(2-chlorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
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| Structure |
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| Formula |
C15H18Cl2N2O3
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| Molecular Weight |
345.226
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| Canonical SMILES |
Cl.Clc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
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| InChI |
InChI=1S/C15H17ClN2O3.ClH/c16-13-5-1-2-6-14(13)19-10-12-8-15(18-21-12)20-9-11-4-3-7-17-11;/h1-2,5-6,8,11,17H,3-4,7,9-10H2;1H/t11-;/m0./s1
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| InChIKey |
XPCHUQKFRLWOSK-MERQFXBCSA-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