General Information of the Compound
| Compound ID |
CP0145451
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| Compound Name |
2-[(4-oxo-3-phenyl-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 |
C22H15F3N4O2S3
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| Molecular Weight |
520.583
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| Canonical SMILES |
FC(F)(F)c1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)sc2c1
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| InChI |
InChI=1S/C22H15F3N4O2S3/c23-22(24,25)12-6-7-14-16(10-12)34-20(26-14)28-17(30)11-33-21-27-15-8-9-32-18(15)19(31)29(21)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,26,28,30)
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| InChIKey |
KSTGTGUMVOFPSQ-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