General Information of the Compound
| Compound ID |
CP0454768
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| Compound Name |
(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate
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| Structure |
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| Formula |
C23H21NO4
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| Molecular Weight |
375.424
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| Canonical SMILES |
Cc1cc(O)c(CN2CCCC2)c2O\C(=C/c3cc4ccccc4o3)C(=O)c12
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| InChI |
InChI=1S/C23H21NO4/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(28-23)12-16-11-15-6-2-3-7-19(15)27-16/h2-3,6-7,10-12,25H,4-5,8-9,13H2,1H3/b20-12-
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| InChIKey |
SQQOTSFFQGFQNR-NDENLUEZSA-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