General Information of the Compound
| Compound ID |
CP0422957
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| Compound Name |
2-Chloro-5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoic Acid
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| Structure |
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| Formula |
C25H23Cl2NO4
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| Molecular Weight |
472.368
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(Cl)c(c3)C(O)=O)cc2C1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H23Cl2NO4/c26-18-3-1-2-16(10-18)24(29)14-28-19-6-4-15-5-7-20(12-17(15)11-19)32-21-8-9-23(27)22(13-21)25(30)31/h1-3,5,7-10,12-13,19,24,28-29H,4,6,11,14H2,(H,30,31)/t19-,24-/m0/s1
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| InChIKey |
BLAWJFJGVBTSJF-CYFREDJKSA-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