General Information of the Compound
| Compound ID |
CP0460764
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C30H34N6O5S
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| Molecular Weight |
590.706
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCC(=O)N3CCCC3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H34N6O5S/c37-27(24-4-3-16-31-20-24)21-32-17-15-22-5-9-25(10-6-22)35-42(39,40)26-11-7-23(8-12-26)30-33-28(41-34-30)13-14-29(38)36-18-1-2-19-36/h3-12,16,20,27,32,35,37H,1-2,13-15,17-19,21H2/t27-/m0/s1
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| InChIKey |
ZNVSBFVJADWRNG-MHZLTWQESA-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