General Information of the Compound
| Compound ID |
CP0477128
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| Compound Name |
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C19H21F3N4O4
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| Molecular Weight |
426.395
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| Canonical SMILES |
COc1ccc(CNC(=O)c2cnc(nc2N2CCOCC2)C(F)(F)F)c(OC)c1
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| InChI |
InChI=1S/C19H21F3N4O4/c1-28-13-4-3-12(15(9-13)29-2)10-23-17(27)14-11-24-18(19(20,21)22)25-16(14)26-5-7-30-8-6-26/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,27)
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| InChIKey |
ZKZGTDRKXSRLBM-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