General Information of the Compound
| Compound ID |
CP0392936
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[2-oxo-3-(4,4,4-trifluorobutyl)imidazol-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C28H30F3N5O4S
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| Molecular Weight |
589.64
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC(F)(F)F)c2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C28H30F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,17-19,26,33-34,37H,2,12-13,15-16,20H2/t26-/m0/s1
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| InChIKey |
HSZKIHQOXWXCHQ-SANMLTNESA-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