General Information of the Compound
| Compound ID |
CP0339840
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| Compound Name |
4-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
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| Structure |
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| Formula |
C16H14BrFN4O3
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| Molecular Weight |
409.215
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| Canonical SMILES |
OCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(Br)cc1F
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| InChI |
InChI=1S/C16H14BrFN4O3/c17-9-1-3-14(12(18)7-9)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
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| InChIKey |
IJAVJYYBFRTIAU-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