General Information of the Compound
| Compound ID |
CP0512774
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-5-methyl-4-nitro-N-[(2-prop-2-enoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
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| Formula |
C22H19N3O7
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| Molecular Weight |
437.408
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| Canonical SMILES |
Cc1onc(C(=O)N(Cc2ccccc2OCC=C)c2ccc3OCOc3c2)c1[N+]([O-])=O
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| InChI |
InChI=1S/C22H19N3O7/c1-3-10-29-17-7-5-4-6-15(17)12-24(16-8-9-18-19(11-16)31-13-30-18)22(26)20-21(25(27)28)14(2)32-23-20/h3-9,11H,1,10,12-13H2,2H3
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| InChIKey |
ZRKXLKUYGQJJMY-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