General Information of the Compound
| Compound ID |
CP0702332
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| Compound Name |
[2H]-N-(5-(5-carbamoyl-2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)pyridin-2-yl)-2-chloro-6-fluoro-N-methylbenzamide
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| Structure |
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| Formula |
C22H15Cl2F4N3O3
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| Molecular Weight |
519.2963053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(N)=O)ccc2Cl)cc1OCC(F)(F)F
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| InChI |
InChI=1S/C22H15Cl2F4N3O3/c1-31(21(33)18-15(24)3-2-4-16(18)25)20-17(34-10-22(26,27)28)8-12(9-30-20)13-7-11(19(29)32)5-6-14(13)23/h2-9H,10H2,1H3,(H2,29,32)/i1D3
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| InChIKey |
LQCBFNJADLRCSO-FIBGUPNXSA-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