General Information of the Compound
| Compound ID |
CP0853735
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| Compound Name |
1-(2-benzylidene-6-hydroxy-4-methyl-3-oxo-2,3-dihydrobenzofuran-7-yl)-N,N-dimethylmethanaminium
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| Structure |
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| Formula |
C19H19NO3
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| Molecular Weight |
309.365
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| Canonical SMILES |
Cc1cc(O)c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2
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| InChI |
InChI=1S/C19H19NO3/c1-12-9-15(21)14(11-20(2)3)19-17(12)18(22)16(23-19)10-13-7-5-4-6-8-13/h4-10,21H,11H2,1-3H3/b16-10-
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| InChIKey |
QDXUHNUSENKIPU-YBEGLDIGSA-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