General Information of the Compound
| Compound ID |
CP0405254
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| Compound Name |
3-Phenyl-propane-1-sulfonic acid (4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-amide
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| Structure |
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| Formula |
C26H32N2O5S
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| Molecular Weight |
484.618
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C26H32N2O5S/c29-24-12-14-26(15-13-24)33-20-25(30)19-27-17-16-22-8-10-23(11-9-22)28-34(31,32)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,25,27-30H,4,7,16-20H2/t25-/m0/s1
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| InChIKey |
RLSSPMNVYVVRQN-VWLOTQADSA-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