General Information of the Compound
| Compound ID |
CP0893288
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| Compound Name |
2-(2-Chloro-5-fluorophenoxy)-N-[5-chloro-2-(methylsulfonyl)benzyl]ethanamine hydrochloride
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| Structure |
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| Formula |
C16H17Cl3FNO3S
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| Molecular Weight |
428.74
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl.Cl
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| InChI |
InChI=1S/C16H16Cl2FNO3S.ClH/c1-24(21,22)16-5-2-12(17)8-11(16)10-20-6-7-23-15-9-13(19)3-4-14(15)18;/h2-5,8-9,20H,6-7,10H2,1H3;1H
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| InChIKey |
CZCRIDDUBWHIFK-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