General Information of the Compound
| Compound ID |
CP0413658
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| Compound Name |
(2Z)-7-[(dimethylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-olate
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| Structure |
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| Formula |
C20H21NO4
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| Molecular Weight |
339.391
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| Canonical SMILES |
COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN(C)C)c1
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| InChI |
InChI=1S/C20H21NO4/c1-12-8-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-6-5-7-14(9-13)24-4/h5-10,22H,11H2,1-4H3/b17-10-
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| InChIKey |
PSGSGLGAGBSKLL-YVLHZVERSA-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