General Information of the Compound
| Compound ID |
CP0449127
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| Compound Name |
N-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
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| Structure |
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| Formula |
C20H13F2N5OS
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| Molecular Weight |
409.421
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| Canonical SMILES |
Fc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
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| InChI |
InChI=1S/C20H13F2N5OS/c21-15-3-1-2-14(18(15)22)16-10-29-20(26-16)27-19(28)12-4-6-13(7-5-12)25-17-8-9-23-11-24-17/h1-11H,(H,23,24,25)(H,26,27,28)
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| InChIKey |
KJSGODHTKYUUSC-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