General Information of the Compound
| Compound ID |
CP0494674
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| Compound Name |
(3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-methyl-5-phenylpyrrolidin-2-one
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| Structure |
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| Formula |
C22H21F6NO2
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| Molecular Weight |
445.403
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| Canonical SMILES |
C[C@@H](OC[C@]1(C[C@H](C)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H21F6NO2/c1-13-11-20(29-19(13)30,16-6-4-3-5-7-16)12-31-14(2)15-8-17(21(23,24)25)10-18(9-15)22(26,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,29,30)/t13-,14+,20+/m0/s1
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| InChIKey |
DMNJGAVZKDLBNT-LRDNONRASA-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