General Information of the Compound
| Compound ID |
CP0373722
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetamide
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| Structure |
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| Formula |
C25H26N6O2
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| Molecular Weight |
442.523
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2nnc([nH]2)-c2ccccc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C25H26N6O2/c32-22(20-7-4-13-26-16-20)17-27-14-12-18-8-10-21(11-9-18)28-24(33)15-23-29-25(31-30-23)19-5-2-1-3-6-19/h1-11,13,16,22,27,32H,12,14-15,17H2,(H,28,33)(H,29,30,31)/t22-/m0/s1
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| InChIKey |
HVYNHYHXIQXJLN-QFIPXVFZSA-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