General Information of the Compound
| Compound ID |
CP0387867
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| Compound Name |
4-((S)-7-((R)-2-(3,4-dichlorophenyl)-2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
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| Structure |
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| Formula |
C25H23Cl2NO3
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| Molecular Weight |
456.369
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H23Cl2NO3/c26-22-10-8-19(13-23(22)27)24(29)14-28-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)25(30)31/h1-6,8,10-11,13,21,24,28-29H,7,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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| InChIKey |
PIXXDHMQSKQXSX-URXFXBBRSA-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