General Information of the Compound
| Compound ID |
CP0547078
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| Compound Name |
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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| Structure |
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| Formula |
C22H25BrN2O5
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| Molecular Weight |
477.355
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| Canonical SMILES |
CCOc1cc(\C=N/NC(=O)C2COc3ccc(cc3O2)C(C)(C)C)cc(Br)c1O
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| InChI |
InChI=1S/C22H25BrN2O5/c1-5-28-18-9-13(8-15(23)20(18)26)11-24-25-21(27)19-12-29-16-7-6-14(22(2,3)4)10-17(16)30-19/h6-11,19,26H,5,12H2,1-4H3,(H,25,27)/b24-11-
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| InChIKey |
CCKZOBDZEKPXED-MYKKPKGFSA-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