General Information of the Compound
| Compound ID |
CP0431585
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| Compound Name |
(2S)-2-amino-4-[4-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)anilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C17H13ClF4N2O3
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| Molecular Weight |
404.747
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc(-c2ccc(F)c(Cl)c2)c(c1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C17H13ClF4N2O3/c18-12-5-8(1-4-13(12)19)10-3-2-9(6-11(10)17(20,21)22)24-15(25)7-14(23)16(26)27/h1-6,14H,7,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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| InChIKey |
MJVRZPPTZDJHOD-AWEZNQCLSA-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