General Information of the Compound
| Compound ID |
CP0507491
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| Compound Name |
(2S)-1-[[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
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| Structure |
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| Formula |
C18H18F2N2O2
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| Molecular Weight |
332.35
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| Canonical SMILES |
NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1F
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| InChI |
InChI=1S/C18H18F2N2O2/c19-14-3-1-2-12(8-14)11-24-15-5-4-13(16(20)9-15)10-22-7-6-17(22)18(21)23/h1-5,8-9,17H,6-7,10-11H2,(H2,21,23)/t17-/m0/s1
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| InChIKey |
MFIQTDGNFWCSDX-KRWDZBQOSA-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