General Information of the Compound
| Compound ID |
CP0400554
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| Compound Name |
US8969325, 278
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| Structure |
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| Formula |
C21H20F3N3O4
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| Molecular Weight |
435.402
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4cc(OC(F)(F)F)ccc34)cc12
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| InChI |
InChI=1S/C21H20F3N3O4/c1-27-17-10-13(4-2-12(17)3-7-19(27)28)25-20(29)26-16-8-9-30-18-11-14(5-6-15(16)18)31-21(22,23)24/h2,4-6,10-11,16H,3,7-9H2,1H3,(H2,25,26,29)/t16-/m1/s1
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| InChIKey |
LEVYFSMRNBIZGN-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