General Information of the Compound
| Compound ID |
CP0464813
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| Compound Name |
2-ethoxycarbonyl-N-methyl-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
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| Structure |
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| Formula |
C25H28N2O5
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| Molecular Weight |
436.508
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C25H28N2O5/c1-3-31-25(28)23-22(18-7-5-4-6-8-18)20-10-9-19(17-21(20)24(23)26(2)29)32-16-13-27-11-14-30-15-12-27/h4-10,17H,3,11-16H2,1-2H3/b26-24-
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| InChIKey |
IPMKXUPPEBQHQL-LCUIJRPUSA-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