General Information of the Compound
| Compound ID |
CP0512891
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| Compound Name |
US10668051, Compound Example 122
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| Structure |
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| Formula |
C19H13F5N4O
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| Molecular Weight |
408.33
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| Canonical SMILES |
Fc1cccc(F)c1NC(=O)c1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C19H13F5N4O/c20-12-2-1-3-13(21)17(12)26-18(29)11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24/h1-3,6-10H,4-5H2,(H,26,29)
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| InChIKey |
CEEWGQSGRMFCET-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