General Information of the Compound
| Compound ID |
CP0521525
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| Compound Name |
4-[1,3-dimethyl-2,6-dioxo-8-(2-phenylethylamino)purin-7-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
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| Structure |
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| Formula |
C26H29N7O4
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| Molecular Weight |
503.563
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| Canonical SMILES |
Cn1c2nc(NCCc3ccccc3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C26H29N7O4/c1-31-23-22(24(36)32(2)26(31)37)33(25(29-23)27-15-14-18-9-4-3-5-10-18)16-8-13-21(35)30-28-17-19-11-6-7-12-20(19)34/h3-7,9-12,17,34H,8,13-16H2,1-2H3,(H,27,29)(H,30,35)/b28-17+
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| InChIKey |
XJVSPEKDSQVFJO-OGLMXYFKSA-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