General Information of the Compound
| Compound ID |
CP0543986
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| Compound Name |
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
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| Structure |
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| Formula |
C23H20N4O4S3
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| Molecular Weight |
512.638
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| Canonical SMILES |
COc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2CCSc2c1=O
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| InChI |
InChI=1S/C23H20N4O4S3/c1-30-14-5-3-13(4-6-14)27-21(29)20-17(9-10-32-20)25-23(27)33-12-19(28)26-22-24-16-8-7-15(31-2)11-18(16)34-22/h3-8,11H,9-10,12H2,1-2H3,(H,24,26,28)
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| InChIKey |
VPFAPMLZQUOXTM-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