General Information of the Compound
| Compound ID |
CP0560554
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| Compound Name |
US10668051, Compound Example 114
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| Structure |
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| Formula |
C18H13F4N5O
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| Molecular Weight |
391.328
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| Canonical SMILES |
Fc1cnccc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H13F4N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22/h3-10H,1-2H2,(H,25,28)
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| InChIKey |
VZMFKIDZMKHSBA-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