General Information of the Compound
| Compound ID |
CP0526518
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| Compound Name |
2-ethoxycarbonyl-N-ethyl-6-methoxy-3-phenylinden-1-imine oxide
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| Structure |
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| Formula |
C21H21NO4
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| Molecular Weight |
351.402
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](=O)CC
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| InChI |
InChI=1S/C21H21NO4/c1-4-22(24)20-17-13-15(25-3)11-12-16(17)18(14-9-7-6-8-10-14)19(20)21(23)26-5-2/h6-13H,4-5H2,1-3H3/b22-20+
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| InChIKey |
VXGHOKQYVZPDMX-LSDHQDQOSA-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