General Information of the Compound
| Compound ID |
CP0571883
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| Compound Name |
6-(3-fluoro-4-propan-2-yloxyanilino)-1-(2-morpholin-4-yl-2-oxoethyl)-3-propan-2-yl-1,3,5-triazine-2,4-dione
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| Formula |
C21H28FN5O5
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| Molecular Weight |
449.483
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2CC(=O)N2CCOCC2)cc1F
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| InChI |
InChI=1S/C21H28FN5O5/c1-13(2)27-20(29)24-19(23-15-5-6-17(16(22)11-15)32-14(3)4)26(21(27)30)12-18(28)25-7-9-31-10-8-25/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,23,24,29)
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| InChIKey |
PSYPFPBBHBDLFF-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