General Information of the Compound
| Compound ID |
CP0544338
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| Compound Name |
US9278960, 7-22
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| Structure |
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| Formula |
C21H15F2N3O3
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| Molecular Weight |
395.365
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1
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| InChI |
InChI=1S/C21H15F2N3O3/c22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)
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| InChIKey |
WRDSHVOSCHDAKP-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