General Information of the Compound
| Compound ID |
CP0373719
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(5-methyl-4H-1,2,4-triazol-3-yl)acetamide
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| Structure |
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| Formula |
C20H24N6O2
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| Molecular Weight |
380.452
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| Canonical SMILES |
Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1
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| InChI |
InChI=1S/C20H24N6O2/c1-14-23-19(26-25-14)11-20(28)24-17-6-4-15(5-7-17)8-10-22-13-18(27)16-3-2-9-21-12-16/h2-7,9,12,18,22,27H,8,10-11,13H2,1H3,(H,24,28)(H,23,25,26)/t18-/m0/s1
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| InChIKey |
UBDGGBIFKXIMIP-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