General Information of the Compound
| Compound ID |
CP0547831
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| Compound Name |
tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)furo[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H27FN4O5S
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| Molecular Weight |
490.557
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
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| InChI |
InChI=1S/C23H27FN4O5S/c1-23(2,3)33-22(29)28-9-7-14(8-10-28)16-12-32-20-19(16)25-13-26-21(20)27-18-6-5-15(11-17(18)24)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3,(H,25,26,27)
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| InChIKey |
NTQPHZLNBRCMRU-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