General Information of the Compound
| Compound ID |
CP0371984
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| Compound Name |
2-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]nicotinic Acid
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| Structure |
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| Formula |
C24H23ClN2O4
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| Molecular Weight |
438.911
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(Oc3ncccc3C(O)=O)cc2C1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H23ClN2O4/c25-18-4-1-3-16(11-18)22(28)14-27-19-8-6-15-7-9-20(13-17(15)12-19)31-23-21(24(29)30)5-2-10-26-23/h1-5,7,9-11,13,19,22,27-28H,6,8,12,14H2,(H,29,30)/t19-,22-/m0/s1
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| InChIKey |
IEHGSMRGTQBBGO-UGKGYDQZSA-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