General Information of the Compound
| Compound ID |
CP0555123
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| Compound Name |
2-[[5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]methyl]-1,3-benzoxazole-5-sulfonamide
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| Structure |
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| Formula |
C23H20N4O5S2
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| Molecular Weight |
496.57
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| Canonical SMILES |
Cc1csc2n(Cc3nc4cc(ccc4o3)S(N)(=O)=O)c(=O)n(CCc3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C23H20N4O5S2/c1-14-13-33-22-20(14)21(28)26(10-9-15-5-3-2-4-6-15)23(29)27(22)12-19-25-17-11-16(34(24,30)31)7-8-18(17)32-19/h2-8,11,13H,9-10,12H2,1H3,(H2,24,30,31)
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| InChIKey |
JGJGOPVVWHZYTI-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