General Information of the Compound
| Compound ID |
CP0407592
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| Compound Name |
methyl 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxopyridin-1-yl]acetate
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| Structure |
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| Formula |
C21H20ClFN4O4
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| Molecular Weight |
446.866
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| Canonical SMILES |
COC(=O)Cn1cc(ccc1=O)-c1cc(NCCc2c(F)cccc2Cl)nc(OC)n1
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| InChI |
InChI=1S/C21H20ClFN4O4/c1-30-20(29)12-27-11-13(6-7-19(27)28)17-10-18(26-21(25-17)31-2)24-9-8-14-15(22)4-3-5-16(14)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25,26)
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| InChIKey |
KHARTMVADHNSCA-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