General Information of the Compound
| Compound ID |
CP0353047
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| Compound Name |
3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamoyl)-benzenesulfonyl fluoride
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| Structure |
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| Formula |
C18H20FN5O5S
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| Molecular Weight |
437.453
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| Canonical SMILES |
CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25)
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| InChIKey |
ZPVVBXADJGZUBV-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