General Information of the Compound
| Compound ID |
CP0558079
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| Compound Name |
CHEMBL4855838
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| Formula |
C11H8F3N3O5
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| Molecular Weight |
319.195
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| Canonical SMILES |
COC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F
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| InChI |
InChI=1S/C11H8F3N3O5/c1-22-10(19)8(9(18)11(12,13)14)16-15-6-4-2-3-5-7(6)17(20)21/h2-5,15H,1H3/b16-8-
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| InChIKey |
OOBCFWHYVFQICX-PXNMLYILSA-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