General Information of the Compound
| Compound ID |
CP0450048
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| Compound Name |
US8796328, 42
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| Structure |
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| Formula |
C20H22F4N4O4S
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| Molecular Weight |
490.479
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(nc2O1)C(F)(F)F
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| InChI |
InChI=1S/C20H22F4N4O4S/c1-19(2)9-15(12-5-7-16(20(22,23)24)27-17(12)32-19)26-18(29)25-10-11-4-6-14(13(21)8-11)28-33(3,30)31/h4-8,15,28H,9-10H2,1-3H3,(H2,25,26,29)/t15-/m1/s1
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| InChIKey |
WYSAMHXHLXAXFM-OAHLLOKOSA-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