General Information of the Compound
| Compound ID |
CP0156740
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide
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| Synonyms |
(1R)-1-(3-Pyridyl)-2-[4-[[4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]phenyl]sulfonylamino]phenethylamino]ethanol
(R)-N-(4-(2-((2-Hydroxy-2-(pyridin-3-yl)ethyl)amino)ethyl)phenyl)-4-(4-(4-trifluoromethylphenyl)thiazol-2-yl)benzenesulfonamide
AC1MI4YO
BDBM50092645
CHEMBL111201
L-796568
L-796568 free base
N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[3-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide
P50A5YTO0O
SCHEMBL1276546
UNII-P50A5YTO0O
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| Structure |
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| Formula |
C31H27F3N4O3S2
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| Molecular Weight |
624.71
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
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| InChI |
InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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| InChIKey |
MSOUIIHPMJCUNI-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: PT06423, Beta-3 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor
Protein ID: PT06057, Beta-3 adrenergic receptor
Protein ID: PT04360, Beta-3 adrenergic receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound