General Information of the Compound
| Compound ID |
CP0403165
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| Compound Name |
2-[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]benzoyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C25H24ClNO5
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| Molecular Weight |
453.922
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(cc1)C(=O)c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H24ClNO5/c26-21-3-1-2-20(14-21)23(28)15-27-13-12-17-4-6-18(7-5-17)25(31)19-8-10-22(11-9-19)32-16-24(29)30/h1-11,14,23,27-28H,12-13,15-16H2,(H,29,30)/t23-/m0/s1
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| InChIKey |
DWACOCWRGJMZMP-QHCPKHFHSA-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: PT01493, Beta-3 adrenergic receptor