General Information of the Compound
| Compound ID |
CP0429907
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| Compound Name |
N,4-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C22H20F3N3O5
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| Molecular Weight |
463.412
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| Canonical SMILES |
COc1ccc(NC(=O)c2cnc(nc2-c2ccc(OC)c(OC)c2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C22H20F3N3O5/c1-30-15-7-5-12(9-17(15)32-3)19-14(11-26-21(28-19)22(23,24)25)20(29)27-13-6-8-16(31-2)18(10-13)33-4/h5-11H,1-4H3,(H,27,29)
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| InChIKey |
WKJQIWSYDXRJIH-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