General Information of the Compound
| Compound ID |
CP0505071
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| Compound Name |
2-ethoxycarbonyl-3-ethyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
CCOC(=O)c1c(CC)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C24H27NO4/c1-4-19-20-14-13-18(29-15-9-12-17-10-7-6-8-11-17)16-21(20)23(25(3)27)22(19)24(26)28-5-2/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3/b25-23+
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| InChIKey |
AWXDDUOJJDJOJB-WJTDDFOZSA-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