General Information of the Compound
| Compound ID |
CP0314145
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| Compound Name |
N-[4-[[(3S,4S,5R)-5-[(3-tert-butylphenyl)methylamino]-4-hydroxy-1,1-dioxothian-3-yl]methyl]-2-ethyl-6-fluorophenyl]acetamide
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| Structure |
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| Formula |
C27H37FN2O4S
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| Molecular Weight |
504.668
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| Canonical SMILES |
CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(C)=O
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| InChI |
InChI=1S/C27H37FN2O4S/c1-6-20-10-19(13-23(28)25(20)30-17(2)31)11-21-15-35(33,34)16-24(26(21)32)29-14-18-8-7-9-22(12-18)27(3,4)5/h7-10,12-13,21,24,26,29,32H,6,11,14-16H2,1-5H3,(H,30,31)/t21-,24+,26+/m1/s1
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| InChIKey |
MJXQUEMDNFSOMU-DSBYRVASSA-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