General Information of the Compound
| Compound ID |
CP0388095
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| Compound Name |
(S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}-2-[1-(4-bromobenzyl)imidazol-2-yl]acetanilide
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| Structure |
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| Formula |
C29H31BrN4O3
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| Molecular Weight |
563.496
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Br)cc2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C29H31BrN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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| InChIKey |
WQVVILMKQWJJNF-SANMLTNESA-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