General Information of the Compound
| Compound ID |
CP0424757
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| Compound Name |
4-(pyrimidin-4-ylamino)-N-(4-(2,3,4-trifluorophenyl)thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C20H12F3N5OS
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| Molecular Weight |
427.411
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| Canonical SMILES |
Fc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c(F)c1F
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| InChI |
InChI=1S/C20H12F3N5OS/c21-14-6-5-13(17(22)18(14)23)15-9-30-20(27-15)28-19(29)11-1-3-12(4-2-11)26-16-7-8-24-10-25-16/h1-10H,(H,24,25,26)(H,27,28,29)
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| InChIKey |
HKRLBAXKTBQJLR-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