General Information of the Compound
| Compound ID |
CP0494175
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| Compound Name |
US8796328, 36
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| Structure |
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| Formula |
C20H21F4N3O4S
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| Molecular Weight |
475.464
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| Canonical SMILES |
C[C@@]1(C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccccc2O1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F4N3O4S/c1-19(20(22,23)24)10-16(13-5-3-4-6-17(13)31-19)26-18(28)25-11-12-7-8-15(14(21)9-12)27-32(2,29)30/h3-9,16,27H,10-11H2,1-2H3,(H2,25,26,28)/t16-,19-/m1/s1
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| InChIKey |
RKBAFXYDBDZIIK-VQIMIIECSA-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