General Information of the Compound
| Compound ID |
CP0522616
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| Compound Name |
US10202399, Example 4
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| Structure |
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| Formula |
C11H9FN2O3
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| Molecular Weight |
236.202
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| Canonical SMILES |
Oc1n[nH]c(COc2ccccc2F)cc1=O
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| InChI |
InChI=1S/C11H9FN2O3/c12-8-3-1-2-4-10(8)17-6-7-5-9(15)11(16)14-13-7/h1-5H,6H2,(H,13,15)(H,14,16)
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| InChIKey |
PFBSCFNVLFFMPW-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