General Information of the Compound
| Compound ID |
CP0373718
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(4-phenylthiazol-2-yl)acetamide
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| Structure |
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| Formula |
C26H26N4O2S
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| Molecular Weight |
458.587
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2nc(cs2)-c2ccccc2)cc1)c1cccnc1
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| InChI |
InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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| InChIKey |
FEZCEVIDMRCUGC-DEOSSOPVSA-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