General Information of the Compound
| Compound ID |
CP0419691
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| Compound Name |
5-chloro-7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]naphthalene-2-carbonitrile
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| Structure |
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| Formula |
C23H16ClN3O4
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| Molecular Weight |
433.851
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| Canonical SMILES |
Clc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc2cc(ccc12)C#N
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| InChI |
InChI=1S/C23H16ClN3O4/c24-19-13-17(12-16-11-15(14-25)5-6-18(16)19)31-21-4-2-1-3-20(21)30-10-9-27-8-7-22(28)26-23(27)29/h1-8,11-13H,9-10H2,(H,26,28,29)
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| InChIKey |
LLSNAOUMBOVBHV-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