General Information of the Compound
| Compound ID |
CP0519051
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| Compound Name |
US8796328, 25
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| Structure |
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| Formula |
C20H23ClFN3O4S
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| Molecular Weight |
455.939
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(Cl)cc2O1
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| InChI |
InChI=1S/C20H23ClFN3O4S/c1-20(2)10-17(14-6-5-13(21)9-18(14)29-20)24-19(26)23-11-12-4-7-16(15(22)8-12)25-30(3,27)28/h4-9,17,25H,10-11H2,1-3H3,(H2,23,24,26)/t17-/m1/s1
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| InChIKey |
YSYJMASZTZLGMK-QGZVFWFLSA-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