General Information of the Compound
| Compound ID |
CP0373745
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| Compound Name |
(R)-2-(furan-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)benzamide
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccco2)cc1)c1cccnc1
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| InChI |
InChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1
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| InChIKey |
MPWADXHKWGRJAZ-DEOSSOPVSA-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