General Information of the Compound
| Compound ID |
CP0402788
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| Compound Name |
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[[butyl(methyl)amino]methyl]-6-hydroxy-4-methyl-1-benzofuran-3-one
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| Structure |
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| Formula |
C24H24BrNO4
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| Molecular Weight |
470.363
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| Canonical SMILES |
CCCCN(C)Cc1c2O\C(=C/c3cc4cc(Br)ccc4o3)C(=O)c2c(C)cc1O
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| InChI |
InChI=1S/C24H24BrNO4/c1-4-5-8-26(3)13-18-19(27)9-14(2)22-23(28)21(30-24(18)22)12-17-11-15-10-16(25)6-7-20(15)29-17/h6-7,9-12,27H,4-5,8,13H2,1-3H3/b21-12-
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| InChIKey |
VRUUNMIPXBSLSV-MTJSOVHGSA-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