General Information of the Compound
| Compound ID |
CP0500801
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| Compound Name |
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-(2-methylpropyl)-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H25ClN4O3S
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| Molecular Weight |
460.987
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| Canonical SMILES |
CCCn1c2nc(CC(C)C)nc(SCC(=O)c3ccc(Cl)cc3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C22H25ClN4O3S/c1-5-10-27-19-18(21(29)26(4)22(27)30)20(25-17(24-19)11-13(2)3)31-12-16(28)14-6-8-15(23)9-7-14/h6-9,13H,5,10-12H2,1-4H3
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| InChIKey |
ZFNQZVBBVIGUGE-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00212, Phosphodiesterase