General Information of the Compound
| Compound ID |
CP0392078
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| Compound Name |
(2S)-2-amino-4-oxo-4-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]anilino]butanoic acid
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| Structure |
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| Formula |
C17H11F7N2O3
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| Molecular Weight |
424.272
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(c1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C17H11F7N2O3/c18-11-10(6-2-1-3-7(4-6)17(22,23)24)12(19)14(21)15(13(11)20)26-9(27)5-8(25)16(28)29/h1-4,8H,5,25H2,(H,26,27)(H,28,29)/t8-/m0/s1
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| InChIKey |
XHYJLDWUJNYZML-QMMMGPOBSA-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: PT04012, Excitatory amino acid transporter 1
Protein ID: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3