General Information of the Compound
| Compound ID |
CP0400965
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| Compound Name |
3,4-Dichloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-benzenesulfonamide
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| Structure |
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| Formula |
C22H23Cl2N3O4S
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| Molecular Weight |
496.416
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1cccnc1
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| InChI |
InChI=1S/C22H23Cl2N3O4S/c23-21-8-7-20(12-22(21)24)32(29,30)27-17-5-3-16(4-6-17)9-11-26-13-18(28)15-31-19-2-1-10-25-14-19/h1-8,10,12,14,18,26-28H,9,11,13,15H2/t18-/m0/s1
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| InChIKey |
SWFWBELGCQKLLB-SFHVURJKSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor