General Information of the Compound
| Compound ID |
CP0381359
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| Compound Name |
4-((S)-7-((R)-2-(6-chloropyridin-3-yl)-2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
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| Structure |
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| Formula |
C24H23ClN2O3
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| Molecular Weight |
422.912
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)nc1
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| InChI |
InChI=1S/C24H23ClN2O3/c25-23-10-8-19(13-27-23)22(28)14-26-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)24(29)30/h1-6,8,10-11,13,21-22,26,28H,7,9,12,14H2,(H,29,30)/t21-,22-/m0/s1
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| InChIKey |
GPISTKPIQBYKBI-VXKWHMMOSA-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