General Information of the Compound
| Compound ID |
CP0572058
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| Compound Name |
(2S,4S)-4-fluoro-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C19H20F2N2O2
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| Molecular Weight |
346.377
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| Canonical SMILES |
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1
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| InChI |
InChI=1S/C19H20F2N2O2/c20-15-3-1-2-14(8-15)12-25-17-6-4-13(5-7-17)10-23-11-16(21)9-18(23)19(22)24/h1-8,16,18H,9-12H2,(H2,22,24)/t16-,18-/m0/s1
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| InChIKey |
LQAIMOYHJBOUSX-WMZOPIPTSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2