General Information of the Compound
| Compound ID |
CP0445638
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| Compound Name |
(2S)-2-amino-4-[4-(3,4-difluorophenoxy)anilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C16H14F2N2O4
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| Molecular Weight |
336.294
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)cc1)C(O)=O
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| InChI |
InChI=1S/C16H14F2N2O4/c17-12-6-5-11(7-13(12)18)24-10-3-1-9(2-4-10)20-15(21)8-14(19)16(22)23/h1-7,14H,8,19H2,(H,20,21)(H,22,23)/t14-/m0/s1
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| InChIKey |
UMROIBNSBXKJGZ-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