General Information of the Compound
| Compound ID |
CP0561106
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| Compound Name |
US8969325, 284
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| Structure |
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| Formula |
C21H20F3N3O3
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| Molecular Weight |
419.403
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cc12
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| InChI |
InChI=1S/C21H20F3N3O3/c1-27-17-11-13(7-5-12(17)6-8-18(27)28)25-20(29)26-16-9-10-30-19-14(16)3-2-4-15(19)21(22,23)24/h2-5,7,11,16H,6,8-10H2,1H3,(H2,25,26,29)/t16-/m1/s1
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| InChIKey |
VICSNQLKOXCBCS-MRXNPFEDSA-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