General Information of the Compound
| Compound ID |
CP0373035
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| Compound Name |
4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-ethyl}-biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C23H22ClNO3
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| Molecular Weight |
395.886
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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| InChIKey |
OBZHPIBYGAZXEL-QFIPXVFZSA-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