General Information of the Compound
| Compound ID |
CP0553145
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| Compound Name |
N-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
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| Formula |
C22H25BrFN3O7
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| Molecular Weight |
542.358
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| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)c1cc(Br)c(C)n(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C22H25BrFN3O7/c1-10-15(23)7-14(22(33)27(10)8-12-3-5-13(24)6-4-12)20(32)26-21-17(25-11(2)29)19(31)18(30)16(9-28)34-21/h3-7,16-19,21,28,30-31H,8-9H2,1-2H3,(H,25,29)(H,26,32)/t16-,17-,18-,19-,21-/m1/s1
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| InChIKey |
HBOVCHXLXXSXTK-DRJBRKBZSA-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: PT01099, Fatty-acid amide hydrolase 1
Protein ID: PT06316, Lysophosphatidylserine lipase ABHD12
Protein ID: PT02720, Monoacylglycerol lipase ABHD6
Protein ID: PT01782, Monoglyceride lipase