General Information of the Compound
| Compound ID |
CP0382049
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| Compound Name |
(S)-N-Methyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-amino]ethyl}-2-(1-benzylimidazol-2-yl)acetanilide
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| Structure |
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| Formula |
C30H34N4O3
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| Molecular Weight |
498.627
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| Canonical SMILES |
CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C30H34N4O3/c1-33(30(36)20-29-32-18-19-34(29)22-25-8-4-2-5-9-25)26-14-12-24(13-15-26)16-17-31-21-27(35)23-37-28-10-6-3-7-11-28/h2-15,18-19,27,31,35H,16-17,20-23H2,1H3/t27-/m0/s1
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| InChIKey |
FLMNFZLPIOZTQJ-MHZLTWQESA-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