General Information of the Compound
| Compound ID |
CP0428935
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(phenoxymethyl)benzamide
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| Structure |
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C29H29N3O3/c33-28(23-8-6-17-30-19-23)20-31-18-16-22-12-14-25(15-13-22)32-29(34)27-11-5-4-7-24(27)21-35-26-9-2-1-3-10-26/h1-15,17,19,28,31,33H,16,18,20-21H2,(H,32,34)/t28-/m0/s1
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| InChIKey |
HIIVUZRNMMABGG-NDEPHWFRSA-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