General Information of the Compound
| Compound ID |
CP0905705
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| Compound Name |
2-Fluoro-3-{3-[(6-methylpyridin-3-yl)oxy]azetidin-1-yl}benzyl-N-carbamimidoylcarbamate (2R,3R)-tartrate
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| Structure |
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| Formula |
C22H26FN5O9
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| Molecular Weight |
523.474
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| Canonical SMILES |
Cc1ccc(OC2CN(c3cccc(COC(=O)NC(=N)N)c3F)C2)cn1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/C18H20FN5O3.C4H6O6/c1-11-5-6-13(7-22-11)27-14-8-24(9-14)15-4-2-3-12(16(15)19)10-26-18(25)23-17(20)21;5-1(3(7)8)2(6)4(9)10/h2-7,14H,8-10H2,1H3,(H4,20,21,23,25);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| InChIKey |
WIZSMFMDNISOSY-LREBCSMRSA-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: PT03817, Membrane primary amine oxidase
Protein ID: PT02562, Membrane primary amine oxidase