General Information of the Compound
| Compound ID |
CP0378403
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| Compound Name |
(R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C23H27N3O2S
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| Molecular Weight |
409.555
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| Canonical SMILES |
O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)C1CCCC1)c1cccnc1
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| InChI |
InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1
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| InChIKey |
ISJPANQFRQXZLQ-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: PT01493, Beta-3 adrenergic receptor