General Information of the Compound
| Compound ID |
CP0378404
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| Compound Name |
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)thiazol-4-yl)phenoxy)ethylamino)ethanol
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| Structure |
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| Formula |
C19H18F3N3O2S
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| Molecular Weight |
409.433
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| Canonical SMILES |
O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C(F)(F)F)c1cccnc1
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| InChI |
InChI=1S/C19H18F3N3O2S/c20-19(21,22)18-25-16(12-28-18)13-3-5-15(6-4-13)27-9-8-24-11-17(26)14-2-1-7-23-10-14/h1-7,10,12,17,24,26H,8-9,11H2/t17-/m0/s1
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| InChIKey |
KSSIJUJWXZXKGL-KRWDZBQOSA-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: PT01493, Beta-3 adrenergic receptor