General Information of the Compound
| Compound ID |
CP0165967
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| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxyphenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C29H40F4N2O6S
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| Molecular Weight |
620.706
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| Canonical SMILES |
COCCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F
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| InChI |
InChI=1S/C29H40F4N2O6S/c1-28(2,3)21-7-5-6-18(11-21)14-35-23-17-42(37,38)16-20(27(23)36)10-19-12-22(30)26(34)24(13-19)41-25(29(31,32)33)15-40-9-8-39-4/h5-7,11-13,20,23,25,27,35-36H,8-10,14-17,34H2,1-4H3/t20-,23+,25-,27+/m1/s1
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| InChIKey |
UFTQHVSGRKPXMV-VVSUHNQASA-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