General Information of the Compound
| Compound ID |
CP0236940
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| Compound Name |
(3S,4S,5R)-3-[(4-amino-3-fluoro-5-propoxyphenyl)methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C26H37FN2O4S
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| Molecular Weight |
492.657
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| Canonical SMILES |
CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
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| InChI |
InChI=1S/C26H37FN2O4S/c1-5-9-33-23-13-18(12-21(27)24(23)28)10-19-15-34(31,32)16-22(25(19)30)29-14-17-7-6-8-20(11-17)26(2,3)4/h6-8,11-13,19,22,25,29-30H,5,9-10,14-16,28H2,1-4H3/t19-,22+,25+/m1/s1
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| InChIKey |
YVVYDXSFDQXZJS-WPWBMXPQSA-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