General Information of the Compound
| Compound ID |
CP0499088
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| Compound Name |
methyl 7-[2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethoxy]-2-oxochromene-3-carboxylate
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| Structure |
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| Formula |
C23H18N2O8
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| Molecular Weight |
450.403
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| Canonical SMILES |
COC(=O)c1cc2ccc(OCCc3nc(oc3C)-c3cccc(c3)[N+]([O-])=O)cc2oc1=O
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| InChI |
InChI=1S/C23H18N2O8/c1-13-19(24-21(32-13)15-4-3-5-16(10-15)25(28)29)8-9-31-17-7-6-14-11-18(22(26)30-2)23(27)33-20(14)12-17/h3-7,10-12H,8-9H2,1-2H3
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| InChIKey |
YLDFFMCYPPMSHA-UHFFFAOYSA-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