General Information of the Compound
| Compound ID |
CP0494176
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| Compound Name |
US8796328, 37
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| Structure |
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| Formula |
C21H22F5N3O4S
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| Molecular Weight |
507.481
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| Canonical SMILES |
C[C@@]1(CF)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/C21H22F5N3O4S/c1-20(11-22)9-17(14-5-4-13(21(24,25)26)8-18(14)33-20)28-19(30)27-10-12-3-6-16(15(23)7-12)29-34(2,31)32/h3-8,17,29H,9-11H2,1-2H3,(H2,27,28,30)/t17-,20+/m1/s1
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| InChIKey |
WHXKINPCCCKPEL-XLIONFOSSA-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