General Information of the Compound
| Compound ID |
CP0470933
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| Compound Name |
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-methyl-N-phenyl-acetamide
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| Structure |
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| Formula |
C26H29N5O4
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| Molecular Weight |
475.549
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H29N5O4/c1-4-15-30-24-22(25(33)31(16-5-2)26(30)34)27-23(28-24)18-11-13-20(14-12-18)35-17-21(32)29(3)19-9-7-6-8-10-19/h6-14H,4-5,15-17H2,1-3H3,(H,27,28)
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| InChIKey |
CXSDMMRBXDIDBH-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