General Information of the Compound
| Compound ID |
CP0440458
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| Compound Name |
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C19H23NO6
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| Molecular Weight |
361.394
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| Canonical SMILES |
O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
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| InChI |
InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m0/s1
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| InChIKey |
MXWICZOXPUWAHY-HNNXBMFYSA-N
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| CAS |
143179-98-0
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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