General Information of the Compound
| Compound ID |
CP0507809
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| Compound Name |
2-ethoxycarbonyl-N-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C25H22N2O4
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| Molecular Weight |
414.461
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCc3ccccn3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C25H22N2O4/c1-3-30-25(28)23-22(17-9-5-4-6-10-17)20-13-12-19(15-21(20)24(23)27(2)29)31-16-18-11-7-8-14-26-18/h4-15H,3,16H2,1-2H3/b27-24+
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| InChIKey |
DQONEIMWVVMFBU-SOYKGTTHSA-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