General Information of the Compound
| Compound ID |
CP0428120
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| Compound Name |
2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C23H17F3N4O3S3
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| Molecular Weight |
550.609
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| Canonical SMILES |
COc1ccccc1-n1c(SCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)nc2CCSc2c1=O
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| InChI |
InChI=1S/C23H17F3N4O3S3/c1-33-16-5-3-2-4-15(16)30-20(32)19-14(8-9-34-19)28-22(30)35-11-18(31)29-21-27-13-7-6-12(23(24,25)26)10-17(13)36-21/h2-7,10H,8-9,11H2,1H3,(H,27,29,31)
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| InChIKey |
IWRAAGLSFNDBOE-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