General Information of the Compound
| Compound ID |
CP0522759
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| Compound Name |
N-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylpyrrolidin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C22H22F6N2O4S
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| Molecular Weight |
524.483
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| Canonical SMILES |
C[C@@H](OC[C@]1(C[C@H](NS(C)(=O)=O)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H22F6N2O4S/c1-13(14-8-16(21(23,24)25)10-17(9-14)22(26,27)28)34-12-20(15-6-4-3-5-7-15)11-18(19(31)29-20)30-35(2,32)33/h3-10,13,18,30H,11-12H2,1-2H3,(H,29,31)/t13-,18+,20-/m1/s1
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| InChIKey |
RALVNYPLJQSMAN-ORPRQENYSA-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