General Information of the Compound
| Compound ID |
CP0417954
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| Compound Name |
cyclobutyl 4-[4-[(2-fluoro-4-methylsulfonylanilino)methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H27FN4O4S
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| Molecular Weight |
450.536
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| Canonical SMILES |
CS(=O)(=O)c1ccc(NCc2cnn(c2)C2CCN(CC2)C(=O)OC2CCC2)c(F)c1
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| InChI |
InChI=1S/C21H27FN4O4S/c1-31(28,29)18-5-6-20(19(22)11-18)23-12-15-13-24-26(14-15)16-7-9-25(10-8-16)21(27)30-17-3-2-4-17/h5-6,11,13-14,16-17,23H,2-4,7-10,12H2,1H3
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| InChIKey |
VIPPGNDMWVWXRM-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