General Information of the Compound
| Compound ID |
CP0428934
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-phenethylbenzamide
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| Structure |
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| Formula |
C30H31N3O2
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| Molecular Weight |
465.597
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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| InChIKey |
XKDPEQFQSLZVJW-LJAQVGFWSA-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