General Information of the Compound
| Compound ID |
CP0469598
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| Compound Name |
4-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
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| Structure |
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| Formula |
C23H25N7O7
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| Molecular Weight |
511.495
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| Canonical SMILES |
Cn1c2nc(NCc3ccco3)n(CCCC(=O)N\N=C\c3ccc(O)c(O)c3O)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C23H25N7O7/c1-28-20-17(21(35)29(2)23(28)36)30(22(26-20)24-12-14-5-4-10-37-14)9-3-6-16(32)27-25-11-13-7-8-15(31)19(34)18(13)33/h4-5,7-8,10-11,31,33-34H,3,6,9,12H2,1-2H3,(H,24,26)(H,27,32)/b25-11+
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| InChIKey |
HMWXVVMQRATDDB-OPEKNORGSA-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: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A