General Information of the Compound
| Compound ID |
CP0401824
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H26N4O4S
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| Molecular Weight |
418.519
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| Canonical SMILES |
COc1ccc(CCNC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC
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| InChI |
InChI=1S/C20H26N4O4S/c1-26-16-5-4-14(12-17(16)27-2)6-7-21-19(25)15-13-22-20(29-3)23-18(15)24-8-10-28-11-9-24/h4-5,12-13H,6-11H2,1-3H3,(H,21,25)
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| InChIKey |
NULJNWINBNQZPW-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