General Information of the Compound
| Compound ID |
CP0505067
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| Compound Name |
6-[2-[cyclohexyl(methyl)amino]ethoxy]-2-ethoxycarbonyl-N-methyl-3-phenylinden-1-imine oxide
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| Structure |
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| Formula |
C28H34N2O4
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| Molecular Weight |
462.59
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN(C)C3CCCCC3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C28H34N2O4/c1-4-33-28(31)26-25(20-11-7-5-8-12-20)23-16-15-22(19-24(23)27(26)30(3)32)34-18-17-29(2)21-13-9-6-10-14-21/h5,7-8,11-12,15-16,19,21H,4,6,9-10,13-14,17-18H2,1-3H3/b30-27+
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| InChIKey |
XUIDXHPWCWANDZ-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