General Information of the Compound
| Compound ID |
CP0503926
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| Compound Name |
2-ethoxycarbonyl-N-methyl-3-pentan-3-yl-6-(3-phenylpropoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C27H33NO4
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| Molecular Weight |
435.564
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| Canonical SMILES |
CCOC(=O)c1c(C(CC)CC)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C27H33NO4/c1-5-20(6-2)24-22-16-15-21(32-17-11-14-19-12-9-8-10-13-19)18-23(22)26(28(4)30)25(24)27(29)31-7-3/h8-10,12-13,15-16,18,20H,5-7,11,14,17H2,1-4H3/b28-26+
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| InChIKey |
PMYYIXYOXRQKDF-BYCLXTJYSA-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