General Information of the Compound
| Compound ID |
CP0401829
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| Compound Name |
4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C18H20F3N3O3
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| Molecular Weight |
383.37
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| Canonical SMILES |
CCN(CC)C(=O)c1cnc(nc1-c1ccc(OC)c(OC)c1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N3O3/c1-5-24(6-2)16(25)12-10-22-17(18(19,20)21)23-15(12)11-7-8-13(26-3)14(9-11)27-4/h7-10H,5-6H2,1-4H3
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| InChIKey |
FPFMHWUPGYRXFL-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