General Information of the Compound
| Compound ID |
CP0528963
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| Compound Name |
4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-purin-1-yl)-propyl ester
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| Structure |
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| Formula |
C23H27FN4O6S
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| Molecular Weight |
506.556
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1
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| InChI |
InChI=1S/C23H27FN4O6S/c1-2-12-27-20-18(25-19(26-20)15-6-3-4-7-15)21(29)28(23(27)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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| InChIKey |
XMBCEKSLDYYQEL-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