General Information of the Compound
| Compound ID |
CP0424585
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| Compound Name |
5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]pyridine-3-carboxamide
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| Formula |
C21H24BrFN2O7
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| Molecular Weight |
515.332
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| Canonical SMILES |
CO[C@@H]1O[C@H](CNC(=O)c2cc(Br)c(C)n(Cc3ccc(F)cc3)c2=O)[C@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H24BrFN2O7/c1-10-14(22)7-13(20(30)25(10)9-11-3-5-12(23)6-4-11)19(29)24-8-15-16(26)17(27)18(28)21(31-2)32-15/h3-7,15-18,21,26-28H,8-9H2,1-2H3,(H,24,29)/t15-,16+,17+,18-,21-/m1/s1
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| InChIKey |
SKRSGLPHCNLKFU-BWZHCXAASA-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