General Information of the Compound
| Compound ID |
CP0576766
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| Compound Name |
(2S,4R)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C20H22F2N2O2
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| Molecular Weight |
360.404
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| Canonical SMILES |
Cc1cc(OCc2cccc(F)c2)ccc1CN1C[C@H](F)C[C@H]1C(N)=O
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| InChI |
InChI=1S/C20H22F2N2O2/c1-13-7-18(26-12-14-3-2-4-16(21)8-14)6-5-15(13)10-24-11-17(22)9-19(24)20(23)25/h2-8,17,19H,9-12H2,1H3,(H2,23,25)/t17-,19+/m1/s1
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| InChIKey |
MHXKQHSRZSQCNV-MJGOQNOKSA-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