General Information of the Compound
| Compound ID |
CP0488262
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| Compound Name |
6-tert-butyl-5-(3,4-dichlorophenyl)-4-[2-(trifluoromethoxy)phenoxy]thieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C23H17Cl2F3N2O2S
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| Molecular Weight |
513.368
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| Canonical SMILES |
CC(C)(C)c1sc2ncnc(Oc3ccccc3OC(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H17Cl2F3N2O2S/c1-22(2,3)19-17(12-8-9-13(24)14(25)10-12)18-20(29-11-30-21(18)33-19)31-15-6-4-5-7-16(15)32-23(26,27)28/h4-11H,1-3H3
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| InChIKey |
VNOJQHCKVSWTKW-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