General Information of the Compound
| Compound ID |
CP0864424
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| Compound Name |
1-((6-hydroxy-2-(3-methoxybenzylidene)-4-methyl-3-oxo-2,3-dihydrobenzofuran-7-yl)methyl)pyrrolidinium
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| Structure |
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| Formula |
C22H23NO4
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| Molecular Weight |
365.429
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| Canonical SMILES |
COc1cccc(/C=C2\Oc3c(CN4CCCC4)c(O)cc(C)c3C2=O)c1
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| InChI |
InChI=1S/C22H23NO4/c1-14-10-18(24)17(13-23-8-3-4-9-23)22-20(14)21(25)19(27-22)12-15-6-5-7-16(11-15)26-2/h5-7,10-12,24H,3-4,8-9,13H2,1-2H3/b19-12-
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| InChIKey |
LNHLYLGXBHGTBQ-UNOMPAQXSA-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