General Information of the Compound
| Compound ID |
CP0452808
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| Compound Name |
N-[2-hydroxy-5-[(2R)-2-hydroxy-3-[[(1S)-1-(3-methoxyphenyl)-3-phenylpropyl]amino]propyl]phenyl]methanesulfonamide
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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 |
COc1cccc(c1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C26H32N2O5S/c1-33-23-10-6-9-21(17-23)24(13-11-19-7-4-3-5-8-19)27-18-22(29)15-20-12-14-26(30)25(16-20)28-34(2,31)32/h3-10,12,14,16-17,22,24,27-30H,11,13,15,18H2,1-2H3/t22-,24+/m1/s1
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| InChIKey |
YDMLHIJQHJTIRS-VWNXMTODSA-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