General Information of the Compound
| Compound ID |
CP0510186
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| Compound Name |
US8686018, 103
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| Structure |
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| Formula |
C22H20F3N3O4
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| Molecular Weight |
447.413
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| Canonical SMILES |
C[C@H](NC(=O)c1c(C)nn(C)c1Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H20F3N3O4/c1-12(14-7-9-15(10-8-14)21(30)31)26-19(29)18-13(2)27-28(3)20(18)32-17-6-4-5-16(11-17)22(23,24)25/h4-12H,1-3H3,(H,26,29)(H,30,31)/t12-/m0/s1
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| InChIKey |
FOQUYUYQYFYEIK-LBPRGKRZSA-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