General Information of the Compound
| Compound ID |
CP0455443
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| Compound Name |
4-(4-Benzo[b]thiophen-2-yl-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 |
C32H28N4O3S3
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| Molecular Weight |
612.802
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cc3ccccc3s2)cc1)c1cccnc1
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| InChI |
InChI=1S/C32H28N4O3S3/c37-29(25-5-3-16-33-19-25)20-34-17-15-22-7-11-26(12-8-22)36-42(38,39)27-13-9-23(10-14-27)32-35-28(21-40-32)31-18-24-4-1-2-6-30(24)41-31/h1-14,16,18-19,21,29,34,36-37H,15,17,20H2/t29-/m0/s1
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| InChIKey |
NBFWPPOLIJRMER-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