General Information of the Compound
| Compound ID |
CP0434965
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| Compound Name |
N-[4-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]thieno[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C26H18ClF3N4O3S2
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| Molecular Weight |
591.036
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1
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| InChI |
InChI=1S/C26H18ClF3N4O3S2/c1-39(35,36)34-17-7-5-15(6-8-17)23-13-20-24(31-14-32-25(20)38-23)33-18-9-10-22(21(27)12-18)37-19-4-2-3-16(11-19)26(28,29)30/h2-14,34H,1H3,(H,31,32,33)
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| InChIKey |
XQNBRKJAXBTZMN-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