General Information of the Compound
| Compound ID |
CP0472165
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| Compound Name |
5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-2-methylbenzoic 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 |
Cc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O
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| InChI |
InChI=1S/C26H26ClNO4/c1-16-5-9-23(14-24(16)26(30)31)32-22-10-7-17-6-8-21(12-19(17)13-22)28-15-25(29)18-3-2-4-20(27)11-18/h2-5,7,9-11,13-14,21,25,28-29H,6,8,12,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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| InChIKey |
RFYGTPHLVAOIDY-OFVILXPXSA-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