General Information of the Compound
| Compound ID |
CP0841305
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| Compound Name |
1-(3,4-dihydroxyphenyl)-2-(4,5,6-trimethylthieno[2,3-d]pyrimidin-2-ylthio)ethanone
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| Structure |
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| Formula |
C17H16N2O3S2
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| Molecular Weight |
360.46
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| Canonical SMILES |
Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(C)c2c1C
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| InChI |
InChI=1S/C17H16N2O3S2/c1-8-10(3)24-16-15(8)9(2)18-17(19-16)23-7-14(22)11-4-5-12(20)13(21)6-11/h4-6,20-21H,7H2,1-3H3
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| InChIKey |
YYQLIDOCLBDSSV-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