General Information of the Compound
| Compound ID |
CP0428937
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-3-(1H-imidazol-2-yl)benzamide
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ncc[nH]2)cc1)c1cccnc1
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| InChI |
InChI=1S/C25H25N5O2/c31-23(21-5-2-11-26-16-21)17-27-12-10-18-6-8-22(9-7-18)30-25(32)20-4-1-3-19(15-20)24-28-13-14-29-24/h1-9,11,13-16,23,27,31H,10,12,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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| InChIKey |
LMXFTCYGVHDWNT-QHCPKHFHSA-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