General Information of the Compound
| Compound ID |
CP0963921
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| Compound Name |
N-benzyl-4-(1-(2-(methyl(phenyl)amino)-2-oxoethyl)-2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)butanamide
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| Structure |
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| Formula |
C26H26N4O4S
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| Molecular Weight |
490.585
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| Canonical SMILES |
CN(C(=O)Cn1c(=O)n(CCCC(=O)NCc2ccccc2)c(=O)c2sccc21)c1ccccc1
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| InChI |
InChI=1S/C26H26N4O4S/c1-28(20-11-6-3-7-12-20)23(32)18-30-21-14-16-35-24(21)25(33)29(26(30)34)15-8-13-22(31)27-17-19-9-4-2-5-10-19/h2-7,9-12,14,16H,8,13,15,17-18H2,1H3,(H,27,31)
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| InChIKey |
BGIMZEBKXKFRGS-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