General Information of the Compound
| Compound ID |
CP0494173
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| Compound Name |
US8796328, 9
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| Structure |
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| Formula |
C21H23F4N3O4S
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| Molecular Weight |
489.491
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F4N3O4S/c1-20(2)10-17(14-6-5-13(21(23,24)25)9-18(14)32-20)27-19(29)26-11-12-4-7-16(15(22)8-12)28-33(3,30)31/h4-9,17,28H,10-11H2,1-3H3,(H2,26,27,29)/t17-/m1/s1
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| InChIKey |
NGEJHBIREZZXIZ-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