General Information of the Compound
| Compound ID |
CP0477771
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| Compound Name |
8-chloro-7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluorophenoxy]-5-fluoronaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C23H14ClF2N3O4
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| Molecular Weight |
469.831
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| Canonical SMILES |
Fc1ccc(Oc2cc(F)c3ccc(cc3c2Cl)C#N)c(OCCn2ccc(=O)[nH]c2=O)c1
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| InChI |
InChI=1S/C23H14ClF2N3O4/c24-22-16-9-13(12-27)1-3-15(16)17(26)11-20(22)33-18-4-2-14(25)10-19(18)32-8-7-29-6-5-21(30)28-23(29)31/h1-6,9-11H,7-8H2,(H,28,30,31)
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| InChIKey |
NHWODXLIPQAJIS-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