General Information of the Compound
| Compound ID |
CP0272115
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| Compound Name |
2-amino-5-(1-ethylpyrazol-4-yl)-5-[4-fluoro-3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one
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| Structure |
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| Formula |
C20H18F2N6O
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| Molecular Weight |
396.401
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| Canonical SMILES |
CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F
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| InChI |
InChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26)
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| InChIKey |
XLKFXPAKZSTNHX-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