General Information of the Compound
| Compound ID |
CP0518171
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| Compound Name |
US9278960, 2-31
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| Structure |
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| Formula |
C21H19FN4O2
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| Molecular Weight |
378.407
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| Canonical SMILES |
CN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
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| InChI |
InChI=1S/C21H19FN4O2/c1-25-8-9-26(21(25)28)12-13-2-7-16-17(14-3-5-15(22)6-4-14)11-19(20(23)27)24-18(16)10-13/h2-7,10-11H,8-9,12H2,1H3,(H2,23,27)
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| InChIKey |
FNGISJJLCIGHAR-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