General Information of the Compound
| Compound ID |
CP0570651
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| Compound Name |
1-(4-chlorophenyl)-6-(3-fluoro-4-propan-2-yloxyanilino)-3-propan-2-yl-1,3,5-triazine-2,4-dione
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| Formula |
C21H22ClFN4O3
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| Molecular Weight |
432.883
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2-c2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C21H22ClFN4O3/c1-12(2)26-20(28)25-19(27(21(26)29)16-8-5-14(22)6-9-16)24-15-7-10-18(17(23)11-15)30-13(3)4/h5-13H,1-4H3,(H,24,25,28)
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| InChIKey |
POAOFZNYTLQHEJ-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