General Information of the Compound
| Compound ID |
CP0468057
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| Compound Name |
4-[4-[[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]methyl]-2-oxopyrrolidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C26H28N8O3
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| Molecular Weight |
500.563
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C#N)c1
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| InChI |
InChI=1S/C26H28N8O3/c1-3-9-32-24-22(25(36)33(10-4-2)26(32)37)29-23(30-24)19-13-28-31(16-19)14-18-11-21(35)34(15-18)20-7-5-17(12-27)6-8-20/h5-8,13,16,18H,3-4,9-11,14-15H2,1-2H3,(H,29,30)
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| InChIKey |
LUBLEZLZZICMNP-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