General Information of the Compound
| Compound ID |
CP0745138
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| Compound Name |
[2H]-(1R,3S,4S,5R)-3-{4-Amino-3-fluoro-5-[2,2,2-trifluoro-1-((R)-methoxymethyl)-ethoxy]-benzyl}-5-(3-isopropyl-benzylamino)-1-oxo-tetrahydro-thiopyran-4-ol
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| Structure |
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| Formula |
C26H34F4N2O4S
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| Molecular Weight |
548.6392036
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| Canonical SMILES |
[2H]C([2H])(N[C@H]1C[S@+]([O-])C[C@@H](Cc2cc(F)c(N)c(O[C@H](COC)C(F)(F)F)c2)[C@@H]1O)c1cccc(C(C)C)c1
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| InChI |
InChI=1S/C26H34F4N2O4S/c1-15(2)18-6-4-5-16(7-18)11-32-21-14-37(34)13-19(25(21)33)8-17-9-20(27)24(31)22(10-17)36-23(12-35-3)26(28,29)30/h4-7,9-10,15,19,21,23,25,32-33H,8,11-14,31H2,1-3H3/t19-,21+,23-,25+,37-/m1/s1/i11D2
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| InChIKey |
WHGCVYRLVFZOSN-RDBSICQGSA-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