General Information of the Compound
| Compound ID |
CP0442800
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| Compound Name |
US9303045, 53
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| Structure |
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| Formula |
C18H19F5N4O2
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| Molecular Weight |
418.366
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| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1cn(c2ncc(F)cc12)C(F)(F)C(F)F
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| InChI |
InChI=1S/C18H19F5N4O2/c1-26-11-3-10(4-12(26)8-29-7-11)25-16(28)14-6-27(18(22,23)17(20)21)15-13(14)2-9(19)5-24-15/h2,5-6,10-12,17H,3-4,7-8H2,1H3,(H,25,28)
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| InChIKey |
XFIRWKDMCGETRS-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