General Information of the Compound
| Compound ID |
CP0485524
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| Compound Name |
(2S)-2-amino-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]anilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C18H17F3N2O3
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| Molecular Weight |
366.339
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| Canonical SMILES |
Cc1cc(NC(=O)C[C@H](N)C(O)=O)ccc1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H17F3N2O3/c1-10-8-13(23-16(24)9-15(22)17(25)26)6-7-14(10)11-2-4-12(5-3-11)18(19,20)21/h2-8,15H,9,22H2,1H3,(H,23,24)(H,25,26)/t15-/m0/s1
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| InChIKey |
JHPMJNZQSSOYSF-HNNXBMFYSA-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