General Information of the Compound
| Compound ID |
CP0448604
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| Compound Name |
(2S)-2-amino-4-[4-(3-chloro-4-fluorophenyl)-2-ethylanilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C18H18ClFN2O3
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| Molecular Weight |
364.804
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| Canonical SMILES |
CCc1cc(ccc1NC(=O)C[C@H](N)C(O)=O)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H18ClFN2O3/c1-2-10-7-11(12-3-5-14(20)13(19)8-12)4-6-16(10)22-17(23)9-15(21)18(24)25/h3-8,15H,2,9,21H2,1H3,(H,22,23)(H,24,25)/t15-/m0/s1
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| InChIKey |
FAAZYFWXJOLYDB-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