General Information of the Compound
| Compound ID |
CP0551196
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| Compound Name |
US8796328, 29
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| Structure |
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| Formula |
C20H22F3N3O4S
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| Molecular Weight |
457.474
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(F)c(F)c2O1
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| InChI |
InChI=1S/C20H22F3N3O4S/c1-20(2)9-16(12-5-6-13(21)17(23)18(12)30-20)25-19(27)24-10-11-4-7-15(14(22)8-11)26-31(3,28)29/h4-8,16,26H,9-10H2,1-3H3,(H2,24,25,27)/t16-/m1/s1
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| InChIKey |
CVBSDMLQTDCGCW-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