General Information of the Compound
| Compound ID |
CP0317586
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| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-(2,2-difluoroethoxy)-5-fluorophenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C25H33F3N2O4S
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| Molecular Weight |
514.61
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| Canonical SMILES |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)F)c3)[C@@H]2O)c1
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| InChI |
InChI=1S/C25H33F3N2O4S/c1-25(2,3)18-6-4-5-15(8-18)11-30-20-14-35(32,33)13-17(24(20)31)7-16-9-19(26)23(29)21(10-16)34-12-22(27)28/h4-6,8-10,17,20,22,24,30-31H,7,11-14,29H2,1-3H3/t17-,20+,24+/m1/s1
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| InChIKey |
OKTQFOQHXKETNN-YQOVMPOYSA-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