General Information of the Compound
| Compound ID |
CP0249165
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| Compound Name |
N-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C18H22N4O4S
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| Molecular Weight |
390.465
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| Canonical SMILES |
COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC
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| InChI |
InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)
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| InChIKey |
URIRVYFWHKYUDQ-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