General Information of the Compound
| Compound ID |
CP0467476
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| Compound Name |
2-[4-(1,5-dimethyl-2,4-dioxo-3-propylpyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(4-fluorophenyl)acetamide
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| Structure |
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| Formula |
C25H25FN4O4
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| Molecular Weight |
464.497
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| Canonical SMILES |
CCCn1c(=O)n(C)c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n(C)c2c1=O
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| InChI |
InChI=1S/C25H25FN4O4/c1-4-13-30-24(32)23-21(29(3)25(30)33)14-20(28(23)2)16-5-11-19(12-6-16)34-15-22(31)27-18-9-7-17(26)8-10-18/h5-12,14H,4,13,15H2,1-3H3,(H,27,31)
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| InChIKey |
SSSLGISHMUVTNG-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