General Information of the Compound
| Compound ID |
CP0423023
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| Compound Name |
2-[4-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenoxy]acetic 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 |
O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(OCC(O)=O)cc3)cc2C1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H26ClNO5/c27-20-3-1-2-18(12-20)25(29)15-28-21-6-4-17-5-7-24(14-19(17)13-21)33-23-10-8-22(9-11-23)32-16-26(30)31/h1-3,5,7-12,14,21,25,28-29H,4,6,13,15-16H2,(H,30,31)/t21-,25-/m0/s1
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| InChIKey |
VYBUHQYVWDDFDD-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