General Information of the Compound
| Compound ID |
CP0509093
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| Compound Name |
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C19H16FN5O3S
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| Molecular Weight |
413.434
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| Canonical SMILES |
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)cc3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C19H16FN5O3S/c1-23-14-7-8-25(16(14)17(27)24(2)19(23)28)9-15(26)22-18-21-13(10-29-18)11-3-5-12(20)6-4-11/h3-8,10H,9H2,1-2H3,(H,21,22,26)
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| InChIKey |
XXAJTWFMFVVGIN-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