General Information of the Compound
| Compound ID |
CP0571134
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| Compound Name |
tert-butyl 4-[7-(2-fluoro-4-methylsulfonylanilino)triazolo[4,5-d]pyrimidin-3-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H26FN7O4S
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| Molecular Weight |
491.549
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)n1nnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
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| InChI |
InChI=1S/C21H26FN7O4S/c1-21(2,3)33-20(30)28-9-7-13(8-10-28)29-19-17(26-27-29)18(23-12-24-19)25-16-6-5-14(11-15(16)22)34(4,31)32/h5-6,11-13H,7-10H2,1-4H3,(H,23,24,25)
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| InChIKey |
SCIOWJWEEDMNRR-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