General Information of the Compound
| Compound ID |
CP0521529
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| Compound Name |
4-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]butanamide
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| Structure |
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| Formula |
C24H27N7O6
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| Molecular Weight |
509.523
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| Canonical SMILES |
COc1ccc(\C=N\NC(=O)CCCn2c(NCc3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c(O)c1
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| InChI |
InChI=1S/C24H27N7O6/c1-29-21-20(22(34)30(2)24(29)35)31(23(27-21)25-14-17-6-5-11-37-17)10-4-7-19(33)28-26-13-15-8-9-16(36-3)12-18(15)32/h5-6,8-9,11-13,32H,4,7,10,14H2,1-3H3,(H,25,27)(H,28,33)/b26-13+
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| InChIKey |
NBXFWNVFIGISJQ-LGJNPRDNSA-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