General Information of the Compound
| Compound ID |
CP0358027
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| Compound Name |
2-amino-N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
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| Structure |
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| Formula |
C27H26FN7O4S2
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| Molecular Weight |
595.682
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| Canonical SMILES |
Cc1nc(N)sc1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
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| InChI |
InChI=1S/C27H26FN7O4S2/c1-15-25(40-26(29)30-15)41(38,39)33-19-10-8-16(9-11-19)12-21-31-22-23(32-21)34(13-17-6-7-17)27(37)35(24(22)36)14-18-4-2-3-5-20(18)28/h2-5,8-11,17,33H,6-7,12-14H2,1H3,(H2,29,30)(H,31,32)
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| InChIKey |
IFCLYKYOVNGIHB-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