General Information of the Compound
| Compound ID |
CP0445906
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| Compound Name |
N-[2-(2-chloro-5-fluorophenoxy)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
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| Structure |
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| Formula |
C17H18Cl2FNO3S
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| Molecular Weight |
406.306
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| Canonical SMILES |
Cl.Fc1ccc(Cl)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1
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| InChI |
InChI=1S/C17H17ClFNO3S.ClH/c18-14-6-5-12(19)11-16(14)23-9-8-20-15-7-10-24(21,22)17-4-2-1-3-13(15)17;/h1-6,11,15,20H,7-10H2;1H
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| InChIKey |
PNVCUCKAMHNRBR-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