General Information of the Compound
| Compound ID |
CP0401837
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| Compound Name |
N-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C18H19F3N4O4
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| Molecular Weight |
412.368
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| Canonical SMILES |
COc1ccc(NC(=O)c2cnc(nc2N2CCOCC2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C18H19F3N4O4/c1-27-13-4-3-11(9-14(13)28-2)23-16(26)12-10-22-17(18(19,20)21)24-15(12)25-5-7-29-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H,23,26)
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| InChIKey |
UCCHUTIXGGVYOM-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
Protein ID: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01727, 3',5'-cyclic-AMP phosphodiesterase 4C
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B