General Information of the Compound
| Compound ID |
CP0566374
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| Compound Name |
US8791268, 6
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| Structure |
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| Formula |
C21H22F5N3O
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| Molecular Weight |
427.417
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1c(F)cccc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H22F5N3O/c1-13-7-9-29(10-8-13)20-14(5-6-18(28-20)21(24,25)26)12-27-19(30)11-15-16(22)3-2-4-17(15)23/h2-6,13H,7-12H2,1H3,(H,27,30)
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| InChIKey |
LAINCCALWZHWME-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