General Information of the Compound
| Compound ID |
CP0036332
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| Compound Name |
4-{(R)-2-[1-(4-Butoxy-benzenesulfonyl)-azetidin-3-ylamino]-1-hydroxy-ethyl}-phenol
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| Structure |
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| Formula |
C21H28N2O5S
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| Molecular Weight |
420.531
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1
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| InChI |
InChI=1S/C21H28N2O5S/c1-2-3-12-28-19-8-10-20(11-9-19)29(26,27)23-14-17(15-23)22-13-21(25)16-4-6-18(24)7-5-16/h4-11,17,21-22,24-25H,2-3,12-15H2,1H3/t21-/m0/s1
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| InChIKey |
RTZATHWISXFFBI-NRFANRHFSA-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