General Information of the Compound
| Compound ID |
CP0381357
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| Compound Name |
4-((S)-7-((R)-2-(4-cyanophenyl)-2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H24N2O3/c27-15-17-1-3-20(4-2-17)25(29)16-28-24-12-11-19-7-10-22(13-23(19)14-24)18-5-8-21(9-6-18)26(30)31/h1-10,13,24-25,28-29H,11-12,14,16H2,(H,30,31)/t24-,25-/m0/s1
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| InChIKey |
WCMLBMLEOODWJM-DQEYMECFSA-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