General Information of the Compound
| Compound ID |
CP0464814
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| Compound Name |
3-(4-chlorophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C28H26ClNO4
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| Molecular Weight |
475.972
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccc(Cl)cc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C28H26ClNO4/c1-3-33-28(31)26-25(20-11-13-21(29)14-12-20)23-16-15-22(18-24(23)27(26)30(2)32)34-17-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-16,18H,3,7,10,17H2,1-2H3/b30-27+
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| InChIKey |
YMHHLUBDQBYDED-KDJFERLWSA-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