General Information of the Compound
| Compound ID |
CP0464126
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| Compound Name |
3-[(7-ethoxy-6-methoxyquinazolin-4-yl)amino]-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C20H21F3N4O5S
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| Molecular Weight |
486.472
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3cc(ccc3OCC(F)(F)F)S(=O)(=O)NC)c2cc1OC
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| InChI |
InChI=1S/C20H21F3N4O5S/c1-4-31-18-9-14-13(8-17(18)30-3)19(26-11-25-14)27-15-7-12(33(28,29)24-2)5-6-16(15)32-10-20(21,22)23/h5-9,11,24H,4,10H2,1-3H3,(H,25,26,27)
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| InChIKey |
FFLPSTMYRDDWDO-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