General Information of the Compound
| Compound ID |
CP0068743
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| Compound Name |
N-[5-chloro-6-[(1S)-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C23H23ClN2O4S
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| Molecular Weight |
458.967
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1
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| InChI |
InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1
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| InChIKey |
VMHNMQCWPLURSW-INIZCTEOSA-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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