General Information of the Compound
| Compound ID |
CP0472289
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| Compound Name |
US9428456, 2.031
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| Structure |
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| Formula |
C22H23ClF3N3O2
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| Molecular Weight |
453.892
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| Canonical SMILES |
FC(F)(F)CNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C22H23ClF3N3O2/c23-18-6-4-16(5-7-18)21(31)28-19-3-1-2-15(12-19)13-29-10-8-17(9-11-29)20(30)27-14-22(24,25)26/h1-7,12,17H,8-11,13-14H2,(H,27,30)(H,28,31)
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| InChIKey |
ZHUMBVIWUSFPAQ-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