General Information of the Compound
Compound ID |
CP0457619
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Compound Name |
N-benzyl-2-ethoxycarbonyl-6-methoxy-3-phenylinden-1-imine oxide
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Structure |
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Formula |
C26H23NO4
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Molecular Weight |
413.473
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Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](=O)Cc1ccccc1
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InChI |
InChI=1S/C26H23NO4/c1-3-31-26(28)24-23(19-12-8-5-9-13-19)21-15-14-20(30-2)16-22(21)25(24)27(29)17-18-10-6-4-7-11-18/h4-16H,3,17H2,1-2H3/b27-25+
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InChIKey |
IZTWFXHORIFBSE-IMVLJIQESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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