General Information of the Compound
| Compound ID |
CP0393173
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| Compound Name |
6-[((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(Oc3ccc(cn3)C(O)=O)cc2C1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H23ClN2O4/c25-19-3-1-2-16(10-19)22(28)14-26-20-7-4-15-5-8-21(12-18(15)11-20)31-23-9-6-17(13-27-23)24(29)30/h1-3,5-6,8-10,12-13,20,22,26,28H,4,7,11,14H2,(H,29,30)/t20-,22-/m0/s1
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| InChIKey |
CMDOHFNBDHCOOG-UNMCSNQZSA-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