General Information of the Compound
| Compound ID |
CP0535407
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| Compound Name |
N-[2-hydroxy-5-[(2S)-2-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)-2-phenylethyl]amino]propyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H30N2O5S
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| Molecular Weight |
470.591
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| Canonical SMILES |
COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23+/m0/s1
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| InChIKey |
RDRFEDNBEUPJBQ-JTHBVZDNSA-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