General Information of the Compound
| Compound ID |
CP0555348
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| Compound Name |
US8796328, 8
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| Structure |
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| Formula |
C22H26Cl2FN3O4S
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| Molecular Weight |
518.438
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(Cl)c(Cl)c2O1
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| InChI |
InChI=1S/C22H26Cl2FN3O4S/c1-4-22(5-2)11-18(14-7-8-15(23)19(24)20(14)32-22)27-21(29)26-12-13-6-9-17(16(25)10-13)28-33(3,30)31/h6-10,18,28H,4-5,11-12H2,1-3H3,(H2,26,27,29)/t18-/m1/s1
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| InChIKey |
HJWMIJALLIEDTI-GOSISDBHSA-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