General Information of the Compound
| Compound ID |
CP0510353
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| Compound Name |
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-[(1-methylimidazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C19H18FN7O2S
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| Molecular Weight |
427.465
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cn(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C19H18FN7O2S/c1-12-16(17(28)21-7-15-9-25(2)10-22-15)30-18(24-12)26-11-23-27(19(26)29)8-13-3-5-14(20)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,21,28)
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| InChIKey |
WUXVFDRDUKEWLP-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