General Information of the Compound
| Compound ID |
CP0516169
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| Compound Name |
US8796328, 20
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| Structure |
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| Formula |
C20H20ClF4N3O4S
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| Molecular Weight |
509.909
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3c(F)c(Cl)ccc23)cc1F
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| InChI |
InChI=1S/C20H20ClF4N3O4S/c1-33(30,31)28-15-5-2-11(6-14(15)24)8-26-19(29)27-16-7-20(9-22,10-23)32-18-12(16)3-4-13(21)17(18)25/h2-6,16,28H,7-10H2,1H3,(H2,26,27,29)/t16-/m1/s1
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| InChIKey |
XVZQQMZAZPDIJK-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