General Information of the Compound
| Compound ID |
CP0387029
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| Compound Name |
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C20H17FN6O2S
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| Molecular Weight |
424.461
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C20H17FN6O2S/c1-13-17(18(28)23-10-15-3-2-8-22-9-15)30-19(25-13)26-12-24-27(20(26)29)11-14-4-6-16(21)7-5-14/h2-9,12H,10-11H2,1H3,(H,23,28)
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| InChIKey |
BKCQAKQXZWKPRF-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