General Information of the Compound
| Compound ID |
CP0577029
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| Compound Name |
(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C20H23FN2O2
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| Molecular Weight |
342.414
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| Canonical SMILES |
C[C@H]1C[C@H](N(Cc2ccc(OCc3cccc(F)c3)cc2)C1)C(N)=O
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| InChI |
InChI=1S/C20H23FN2O2/c1-14-9-19(20(22)24)23(11-14)12-15-5-7-18(8-6-15)25-13-16-3-2-4-17(21)10-16/h2-8,10,14,19H,9,11-13H2,1H3,(H2,22,24)/t14-,19-/m0/s1
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| InChIKey |
VGHJWAMLODRXST-LIRRHRJNSA-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