General Information of the Compound
| Compound ID |
CP0373727
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-1H-benzo[d]imidazole-2-carboxamide
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1)c1cccnc1
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| InChI |
InChI=1S/C23H23N5O2/c29-21(17-4-3-12-24-14-17)15-25-13-11-16-7-9-18(10-8-16)26-23(30)22-27-19-5-1-2-6-20(19)28-22/h1-10,12,14,21,25,29H,11,13,15H2,(H,26,30)(H,27,28)/t21-/m0/s1
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| InChIKey |
BJXHMWHTAMWFJD-NRFANRHFSA-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