General Information of the Compound
| Compound ID |
CP0449124
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| Compound Name |
N-[4-(3-ethyl-2-fluorophenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C22H18FN5OS
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| Molecular Weight |
419.485
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| Canonical SMILES |
CCc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
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| InChI |
InChI=1S/C22H18FN5OS/c1-2-14-4-3-5-17(20(14)23)18-12-30-22(27-18)28-21(29)15-6-8-16(9-7-15)26-19-10-11-24-13-25-19/h3-13H,2H2,1H3,(H,24,25,26)(H,27,28,29)
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| InChIKey |
ASAGNHDLPBTEOJ-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