General Information of the Compound
| Compound ID |
CP0464815
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| Compound Name |
2-ethoxycarbonyl-N-methyl-3-(3-methylphenyl)-6-(3-phenylpropoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C29H29NO4
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| Molecular Weight |
455.554
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| Canonical SMILES |
CCOC(=O)c1c(-c2cccc(C)c2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C29H29NO4/c1-4-33-29(31)27-26(22-14-8-10-20(2)18-22)24-16-15-23(19-25(24)28(27)30(3)32)34-17-9-13-21-11-6-5-7-12-21/h5-8,10-12,14-16,18-19H,4,9,13,17H2,1-3H3/b30-28+
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| InChIKey |
YWLHCBDNRJLZCC-SJCQXOIGSA-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