General Information of the Compound
| Compound ID |
CP0867038
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| Compound Name |
2-(2-Chloro-5-fluorophenoxy)-N-[2-(methylsulfonyl)benzyl]ethanamine hydrochloride
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| Structure |
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| Formula |
C16H18Cl2FNO3S
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| Molecular Weight |
394.295
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl.Cl
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| InChI |
InChI=1S/C16H17ClFNO3S.ClH/c1-23(20,21)16-5-3-2-4-12(16)11-19-8-9-22-15-10-13(18)6-7-14(15)17;/h2-7,10,19H,8-9,11H2,1H3;1H
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| InChIKey |
LAQZVOKOLGVCNV-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor