General Information of the Compound
| Compound ID |
CP0393188
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| Compound Name |
4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)phenoxy]acetic Acid
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| Structure |
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| Formula |
C26H26ClNO4
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| Molecular Weight |
451.95
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H26ClNO4/c27-22-3-1-2-20(13-22)25(29)15-28-23-9-6-18-4-5-19(12-21(18)14-23)17-7-10-24(11-8-17)32-16-26(30)31/h1-5,7-8,10-13,23,25,28-29H,6,9,14-16H2,(H,30,31)/t23-,25-/m0/s1
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| InChIKey |
BQHRITAIBBBODG-ZCYQVOJMSA-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