General Information of the Compound
| Compound ID |
CP0501938
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| Compound Name |
methyl 2-[4-[[(2-ethyl-2-hydroxybutanoyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C21H23F2NO4
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| Molecular Weight |
391.414
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| Canonical SMILES |
CCC(O)(CC)C(=O)NCc1ccc(cc1F)-c1cccc(F)c1C(=O)OC
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| InChI |
InChI=1S/C21H23F2NO4/c1-4-21(27,5-2)20(26)24-12-14-10-9-13(11-17(14)23)15-7-6-8-16(22)18(15)19(25)28-3/h6-11,27H,4-5,12H2,1-3H3,(H,24,26)
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| InChIKey |
BRSJKNBMTBOEAF-UHFFFAOYSA-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