General Information of the Compound
| Compound ID |
CP0558471
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| Compound Name |
(2S)-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4,4-dimethylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C21H24F2N2O2
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| Molecular Weight |
374.431
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| Canonical SMILES |
CC1(C)C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2F)C1)C(N)=O
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| InChI |
InChI=1S/C21H24F2N2O2/c1-21(2)10-19(20(24)26)25(13-21)11-15-6-7-17(9-18(15)23)27-12-14-4-3-5-16(22)8-14/h3-9,19H,10-13H2,1-2H3,(H2,24,26)/t19-/m0/s1
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| InChIKey |
VGSJDWCJGHWKCH-IBGZPJMESA-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