General Information of the Compound
| Compound ID |
CP0428929
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
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| Structure |
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| Formula |
C19H22N6O2
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| Molecular Weight |
366.425
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cn2cncn2)cc1)c1cccnc1
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| InChI |
InChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1
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| InChIKey |
MWMXMJXDBMIQEO-SFHVURJKSA-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