General Information of the Compound
| Compound ID |
CP0492498
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| Compound Name |
4-[4-(4-Hexyl-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 |
C36H40N4O3S2
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| Molecular Weight |
640.875
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| Canonical SMILES |
CCCCCCc1ccc(cc1)-c1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C36H40N4O3S2/c1-2-3-4-5-7-27-9-13-29(14-10-27)34-26-44-36(39-34)30-15-19-33(20-16-30)45(42,43)40-32-17-11-28(12-18-32)21-23-38-25-35(41)31-8-6-22-37-24-31/h6,8-20,22,24,26,35,38,40-41H,2-5,7,21,23,25H2,1H3/t35-/m0/s1
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| InChIKey |
CGOIQOHYFAKMEL-DHUJRADRSA-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