General Information of the Compound
| Compound ID |
CP0507810
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| Compound Name |
2-ethoxycarbonyl-3-(furan-3-yl)-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C26H25NO5
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| Molecular Weight |
431.488
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccoc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C26H25NO5/c1-3-31-26(28)24-23(19-13-15-30-17-19)21-12-11-20(16-22(21)25(24)27(2)29)32-14-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,15-17H,3,7,10,14H2,1-2H3/b27-25+
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| InChIKey |
XNTMLZUPHJCKBD-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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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