General Information of the Compound
| Compound ID |
CP0422403
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| Compound Name |
2-[4-[[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C25H26ClNO4
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| Molecular Weight |
439.939
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(Cc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H26ClNO4/c26-22-3-1-2-21(15-22)24(28)16-27-13-12-18-4-6-19(7-5-18)14-20-8-10-23(11-9-20)31-17-25(29)30/h1-11,15,24,27-28H,12-14,16-17H2,(H,29,30)/t24-/m0/s1
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| InChIKey |
XUITYTKWUCWVPD-DEOSSOPVSA-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