General Information of the Compound
| Compound ID |
CP0345727
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| Compound Name |
MLS000550559
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| Structure |
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| Formula |
C14H9F3N2O
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| Molecular Weight |
278.233
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| Canonical SMILES |
FC(F)(F)C(=O)Nc1cccc2c3ccccc3[nH]c12
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| InChI |
InChI=1S/C14H9F3N2O/c15-14(16,17)13(20)19-11-7-3-5-9-8-4-1-2-6-10(8)18-12(9)11/h1-7,18H,(H,19,20)
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| InChIKey |
ZZVSTWVVMYTUJI-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