General Information of the Compound
| Compound ID |
CP0552544
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| Compound Name |
tert-butyl 4-[1-(2-fluoro-4-methylsulfonylphenyl)triazole-4-carbonyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C19H24FN5O5S
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| Molecular Weight |
453.496
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cn(nn1)-c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C19H24FN5O5S/c1-19(2,3)30-18(27)24-9-7-23(8-10-24)17(26)15-12-25(22-21-15)16-6-5-13(11-14(16)20)31(4,28)29/h5-6,11-12H,7-10H2,1-4H3
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| InChIKey |
CVEMLMNUOQKFMX-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