General Information of the Compound
| Compound ID |
CP0404462
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| Compound Name |
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
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| Structure |
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| Formula |
C30H27FN4O3S2
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| Molecular Weight |
574.703
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(F)cc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H27FN4O3S2/c31-25-9-5-22(6-10-25)28-20-39-30(34-28)23-7-13-27(14-8-23)40(37,38)35-26-11-3-21(4-12-26)15-17-33-19-29(36)24-2-1-16-32-18-24/h1-14,16,18,20,29,33,35-36H,15,17,19H2/t29-/m0/s1
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| InChIKey |
PRENICXUXBJNOT-LJAQVGFWSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor