General Information of the Compound
| Compound ID |
CP0504190
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| Compound Name |
(R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-(2-oxopyrrolidin-1-yl)benzoic acid
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| Structure |
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| Formula |
C27H27ClN2O5
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| Molecular Weight |
494.975
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| Canonical SMILES |
O[C@@H](CNCCc1cccc(Oc2ccc(N3CCCC3=O)c(c2)C(O)=O)c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H27ClN2O5/c28-20-6-2-5-19(15-20)25(31)17-29-12-11-18-4-1-7-21(14-18)35-22-9-10-24(23(16-22)27(33)34)30-13-3-8-26(30)32/h1-2,4-7,9-10,14-16,25,29,31H,3,8,11-13,17H2,(H,33,34)/t25-/m0/s1
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| InChIKey |
JQIVPXQYQMWJIR-VWLOTQADSA-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: PT06057, Beta-3 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor