General Information of the Compound
| Compound ID |
CP0838198
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| Compound Name |
SID49824120
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| Structure |
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| Formula |
C22H14F5N3O5
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| Molecular Weight |
495.36
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| Canonical SMILES |
COc1ccc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc1COc1c(F)c(F)c(F)c(F)c1F
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| InChI |
InChI=1S/C22H14F5N3O5/c1-34-15-7-6-11(9-28-29-22(31)13-4-2-3-5-14(13)30(32)33)8-12(15)10-35-21-19(26)17(24)16(23)18(25)20(21)27/h2-9H,10H2,1H3,(H,29,31)/b28-9-
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| InChIKey |
UXCPSNGNZIVFCK-BMWVXGTQSA-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