General Information of the Compound
| Compound ID |
CP0448316
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| Compound Name |
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C20H18FN7O2S
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| Molecular Weight |
439.476
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C20H18FN7O2S/c1-12-7-23-16(8-22-12)9-24-18(29)17-13(2)26-19(31-17)27-11-25-28(20(27)30)10-14-3-5-15(21)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,24,29)
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| InChIKey |
QGCICRMMUPZJRA-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