General Information of the Compound
| Compound ID |
CP0500727
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| Compound Name |
3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-5-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 |
COc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O
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| InChI |
InChI=1S/C26H26ClNO5/c1-32-23-12-19(26(30)31)13-24(14-23)33-22-8-6-16-5-7-21(10-18(16)11-22)28-15-25(29)17-3-2-4-20(27)9-17/h2-4,6,8-9,11-14,21,25,28-29H,5,7,10,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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| InChIKey |
HELINHYFLXXSFF-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor