General Information of the Compound
| Compound ID |
CP0366154
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| Compound Name |
N-(3,5-dichloropyridin-4-yl)-4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C19H13Cl2F3N4O3
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| Molecular Weight |
473.238
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(ncc1C(=O)Nc1c(Cl)cncc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H13Cl2F3N4O3/c1-30-13-4-3-9(5-14(13)31-2)15-10(6-26-18(28-15)19(22,23)24)17(29)27-16-11(20)7-25-8-12(16)21/h3-8H,1-2H3,(H,25,27,29)
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| InChIKey |
NTYCZROBEUBTBF-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