General Information of the Compound
| Compound ID |
CP0401835
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| Compound Name |
4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C19H15F3N4O3
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| Molecular Weight |
404.348
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(ncc1C(=O)Nc1ccncc1)C(F)(F)F
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| InChI |
InChI=1S/C19H15F3N4O3/c1-28-14-4-3-11(9-15(14)29-2)16-13(10-24-18(26-16)19(20,21)22)17(27)25-12-5-7-23-8-6-12/h3-10H,1-2H3,(H,23,25,27)
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| InChIKey |
WYPQDUGRCRAKKH-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