General Information of the Compound
| Compound ID |
CP0061813
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| Compound Name |
N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
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| Structure |
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| Formula |
C16H14FIN4O2
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| Molecular Weight |
440.216
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| Canonical SMILES |
CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
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| InChI |
InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)
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| InChIKey |
BEYHNMFRDWRJGB-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
Protein ID: PT01080, Dual specificity mitogen-activated protein kinase kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 132 nM
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