General Information of the Compound
| Compound ID |
CP0388092
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)-2-(3-methyl-2-pyridyl)acetanilide
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1
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| InChIKey |
VMMOGXPDAWGYDP-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor