General Information of the Compound
| Compound ID |
CP0397980
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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]benzoic acid
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| Structure |
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| Formula |
C26H29N7O5
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| Molecular Weight |
519.562
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(O)=O)c1
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| InChI |
InChI=1S/C26H29N7O5/c1-3-9-31-23-21(24(35)32(10-4-2)26(31)38)28-22(29-23)18-12-27-30(15-18)13-16-11-20(34)33(14-16)19-7-5-17(6-8-19)25(36)37/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,28,29)(H,36,37)
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| InChIKey |
PTNLYZKNZPURKZ-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