General Information of the Compound
| Compound ID |
CP0434375
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| Compound Name |
4-(4-Hexyl-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 |
C30H36N4O3S2
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| Molecular Weight |
564.777
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| Canonical SMILES |
CCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C30H36N4O3S2/c1-2-3-4-5-8-27-22-38-30(33-27)24-11-15-28(16-12-24)39(36,37)34-26-13-9-23(10-14-26)17-19-32-21-29(35)25-7-6-18-31-20-25/h6-7,9-16,18,20,22,29,32,34-35H,2-5,8,17,19,21H2,1H3/t29-/m0/s1
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| InChIKey |
RDVWHSCDZBZWKT-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