General Information of the Compound
| Compound ID |
CP0490594
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| Compound Name |
2-ethoxycarbonyl-N-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-phenylinden-1-imine oxide
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCN(C)CC3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C26H31N3O4/c1-4-32-26(30)24-23(19-8-6-5-7-9-19)21-11-10-20(18-22(21)25(24)28(3)31)33-17-16-29-14-12-27(2)13-15-29/h5-11,18H,4,12-17H2,1-3H3/b28-25+
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| InChIKey |
FZMNVKASGCNVIQ-AZPGRJICSA-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