General Information of the Compound
| Compound ID |
CP0378410
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| Compound Name |
(R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C21H25N3O3
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| Molecular Weight |
367.449
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| Canonical SMILES |
CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
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| InChIKey |
BFBYARFWWVASFC-FQEVSTJZSA-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