General Information of the Compound
| Compound ID |
CP0433805
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| Compound Name |
2-[[3-(4-fluorophenyl)-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 |
C22H14F4N4O2S3
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| Molecular Weight |
538.573
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| Canonical SMILES |
Fc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)nc2CCSc2c1=O
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| InChI |
InChI=1S/C22H14F4N4O2S3/c23-12-2-4-13(5-3-12)30-19(32)18-15(7-8-33-18)28-21(30)34-10-17(31)29-20-27-14-6-1-11(22(24,25)26)9-16(14)35-20/h1-6,9H,7-8,10H2,(H,27,29,31)
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| InChIKey |
XRTVRIUITIPABG-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