General Information of the Compound
| Compound ID |
CP0488264
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| Compound Name |
6-tert-butyl-4-(2-fluorophenoxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C22H18F2N2OS
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| Molecular Weight |
396.462
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| Canonical SMILES |
CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H18F2N2OS/c1-22(2,3)19-17(13-8-10-14(23)11-9-13)18-20(25-12-26-21(18)28-19)27-16-7-5-4-6-15(16)24/h4-12H,1-3H3
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| InChIKey |
YQLYVZKPITYSFK-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