General Information of the Compound
| Compound ID |
CP0372204
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)-2-(4,6-dimethyl-2-pyridyl)-acetanilide
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C26H31N3O3/c1-19-14-20(2)28-23(15-19)16-26(31)29-22-10-8-21(9-11-22)12-13-27-17-24(30)18-32-25-6-4-3-5-7-25/h3-11,14-15,24,27,30H,12-13,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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| InChIKey |
FQWZNIUMQVNSJJ-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