General Information of the Compound
| Compound ID |
CP0419690
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| Compound Name |
5-chloro-7-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-8-methylnaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C24H18ClN3O4
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| Molecular Weight |
447.878
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| Canonical SMILES |
Cc1c(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(Cl)c2ccc(cc12)C#N
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| InChI |
InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
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| InChIKey |
KFUNYNPQHKSQRQ-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