General Information of the Compound
| Compound ID |
CP0573247
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| Compound Name |
6-tert-butyl-4-(2-fluorophenoxy)-5-phenylthieno[2,3-d]pyrimidine
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| Formula |
C22H19FN2OS
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| Molecular Weight |
378.472
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| Canonical SMILES |
CC(C)(C)c1sc2ncnc(Oc3ccccc3F)c2c1-c1ccccc1
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| InChI |
InChI=1S/C22H19FN2OS/c1-22(2,3)19-17(14-9-5-4-6-10-14)18-20(24-13-25-21(18)27-19)26-16-12-8-7-11-15(16)23/h4-13H,1-3H3
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| InChIKey |
SHMOSYHGBSXPRP-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