General Information of the Compound
| Compound ID |
CP0439490
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(indol-4-yloxy)propyl]amino}-ethyl)-2-(2-pyridyl)acetanilide
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| Structure |
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| Formula |
C25H27N5O4
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| Molecular Weight |
461.522
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C25H27N5O4/c31-20(16-34-22-6-3-5-21-24(22)30-25(33)29-21)15-26-13-11-17-7-9-18(10-8-17)28-23(32)14-19-4-1-2-12-27-19/h1-10,12,20,26,31H,11,13-16H2,(H,28,32)(H2,29,30,33)/t20-/m0/s1
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| InChIKey |
XTWIHJARHCYNFX-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