General Information of the Compound
| Compound ID |
CP0461599
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| Compound Name |
(2S)-2-amino-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]anilino]butanoic acid
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| Structure |
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| Formula |
C17H15F3N2O3
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| Molecular Weight |
352.312
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C17H15F3N2O3/c18-17(19,20)12-3-1-2-11(8-12)10-4-6-13(7-5-10)22-15(23)9-14(21)16(24)25/h1-8,14H,9,21H2,(H,22,23)(H,24,25)/t14-/m0/s1
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| InChIKey |
VNESGVWLCUTKMJ-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