General Information of the Compound
| Compound ID |
CP0432799
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| Compound Name |
(2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one
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| Structure |
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| Formula |
C23H26N2O4
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| Molecular Weight |
394.471
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| Canonical SMILES |
COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN2CCN(C)CC2)c1
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| InChI |
InChI=1S/C23H26N2O4/c1-15-11-19(26)18(14-25-9-7-24(2)8-10-25)23-21(15)22(27)20(29-23)13-16-5-4-6-17(12-16)28-3/h4-6,11-13,26H,7-10,14H2,1-3H3/b20-13-
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| InChIKey |
PKNRLZAVRGSPNB-MOSHPQCFSA-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