General Information of the Compound
| Compound ID |
CP0566454
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| Compound Name |
US10668051, Compound Example 33
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| Structure |
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| Formula |
C22H18F3N3O
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| Molecular Weight |
397.4
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| Canonical SMILES |
Fc1cccc(F)c1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C22H18F3N3O/c23-15-2-1-3-16(24)21(15)22(29)26-14-8-9-19(17(25)10-14)28-20(13-6-7-13)11-18(27-28)12-4-5-12/h1-3,8-13H,4-7H2,(H,26,29)
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| InChIKey |
FQBXOFLHBKDTPO-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