General Information of the Compound
| Compound ID |
CP0486951
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| Compound Name |
1-(2,4-difluorophenyl)-3-[4-(3-pyridylethynyl)-2-thiazolyl]-urea
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| Structure |
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| Formula |
C17H10F2N4OS
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| Molecular Weight |
356.357
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2nc(cs2)C#Cc2cccnc2)c(F)c1
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| InChI |
InChI=1S/C17H10F2N4OS/c18-12-4-6-15(14(19)8-12)22-16(24)23-17-21-13(10-25-17)5-3-11-2-1-7-20-9-11/h1-2,4,6-10H,(H2,21,22,23,24)
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| InChIKey |
FMZDCCDDGYJQFK-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