General Information of the Compound
| Compound ID |
CP0510356
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| Compound Name |
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H19FN6O2S
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| Molecular Weight |
438.488
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| Canonical SMILES |
CC(c1ccc(F)cc1)n1ncn(-c2nc(C)c(s2)C(=O)NCc2ccccn2)c1=O
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| InChI |
InChI=1S/C21H19FN6O2S/c1-13-18(19(29)24-11-17-5-3-4-10-23-17)31-20(26-13)27-12-25-28(21(27)30)14(2)15-6-8-16(22)9-7-15/h3-10,12,14H,11H2,1-2H3,(H,24,29)
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| InChIKey |
BQZCMVMHOYRQFV-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