General Information of the Compound
| Compound ID |
CP0546487
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| Compound Name |
6-(3-fluoro-4-propan-2-yloxyanilino)-1-(4-methoxyphenyl)-3-propan-2-yl-1,3,5-triazine-2,4-dione
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| Formula |
C22H25FN4O4
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| Molecular Weight |
428.464
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| Canonical SMILES |
COc1ccc(cc1)-n1c(Nc2ccc(OC(C)C)c(F)c2)nc(=O)n(C(C)C)c1=O
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| InChI |
InChI=1S/C22H25FN4O4/c1-13(2)26-21(28)25-20(24-15-6-11-19(18(23)12-15)31-14(3)4)27(22(26)29)16-7-9-17(30-5)10-8-16/h6-14H,1-5H3,(H,24,25,28)
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| InChIKey |
GFUZRYXWDRWCOJ-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