General Information of the Compound
| Compound ID |
CP0443002
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| Compound Name |
US10668051, Compound Example 100
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| Structure |
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| Formula |
C20H13F6N3O
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| Molecular Weight |
425.332
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| Canonical SMILES |
Fc1cccc(F)c1NC(=O)c1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H13F6N3O/c21-12-2-1-3-13(22)18(12)27-19(30)11-6-7-15(14(23)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30)
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| InChIKey |
BEBHBILBEVKHHU-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