General Information of the Compound
| Compound ID |
CP0392027
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| Compound Name |
2-(2-Difluoromethoxy-6-methoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
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| Structure |
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| Formula |
C21H29F2N3O3
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| Molecular Weight |
409.477
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC(F)F)n(CC)c1=O
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| InChI |
InChI=1S/C21H29F2N3O3/c1-6-12-25(13-7-2)18-14(4)24-19(26(8-3)20(18)27)17-15(28-5)10-9-11-16(17)29-21(22)23/h9-11,21H,6-8,12-13H2,1-5H3
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| InChIKey |
WWGPETIWHIIOCU-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