General Information of the Compound
| Compound ID |
CP0525644
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| Compound Name |
methyl 2-fluoro-6-[3-fluoro-4-[[[(2S)-2-hydroxy-3-methylbutanoyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C20H21F2NO4
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| Molecular Weight |
377.387
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)C)c(F)c1
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| InChI |
InChI=1S/C20H21F2NO4/c1-11(2)18(24)19(25)23-10-13-8-7-12(9-16(13)22)14-5-4-6-15(21)17(14)20(26)27-3/h4-9,11,18,24H,10H2,1-3H3,(H,23,25)/t18-/m0/s1
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| InChIKey |
STPGUVGBBUKEOY-SFHVURJKSA-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