General Information of the Compound
| Compound ID |
CP0429302
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| Compound Name |
N-[2-(2-chloro-5-fluorophenoxy)ethyl]-3-(2-methylsulfonylphenyl)propan-1-amine
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| Structure |
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| Formula |
C18H21ClFNO3S
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| Molecular Weight |
385.888
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl
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| InChI |
InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3
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| InChIKey |
UUUZVUUYCUVGRF-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