General Information of the Compound
| Compound ID |
CP0060454
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| Compound Name |
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
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| Structure |
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| Formula |
C26H20ClF3N2O4
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| Molecular Weight |
516.903
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| Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2cc1OC
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| InChI |
InChI=1S/C26H20ClF3N2O4/c1-34-23-13-18-21(14-24(23)35-2)31-10-9-22(18)36-17-6-4-16(5-7-17)32-25(33)12-15-3-8-20(27)19(11-15)26(28,29)30/h3-11,13-14H,12H2,1-2H3,(H,32,33)
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| InChIKey |
YOHLRCOPRAVUCJ-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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