General Information of the Compound
| Compound ID |
CP0456745
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| Compound Name |
5-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-2-methoxybenzoic Acid
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| Structure |
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| Formula |
C26H26ClNO5
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| Molecular Weight |
467.949
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| Canonical SMILES |
COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)cc2)cc1C(O)=O
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| InChI |
InChI=1S/C26H26ClNO5/c1-32-25-11-10-22(14-23(25)26(30)31)33-21-9-5-16-4-8-20(12-18(16)13-21)28-15-24(29)17-2-6-19(27)7-3-17/h2-3,5-7,9-11,13-14,20,24,28-29H,4,8,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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| InChIKey |
QGMDIZKABCYUIG-RDPSFJRHSA-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