General Information of the Compound
| Compound ID |
CP0431594
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| Compound Name |
(2S)-2-amino-4-[4-(3,4-dichlorophenyl)-3-methylanilino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C17H16Cl2N2O3
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| Molecular Weight |
367.232
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| Canonical SMILES |
Cc1cc(NC(=O)C[C@H](N)C(O)=O)ccc1-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H16Cl2N2O3/c1-9-6-11(21-16(22)8-15(20)17(23)24)3-4-12(9)10-2-5-13(18)14(19)7-10/h2-7,15H,8,20H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1
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| InChIKey |
MBQGVKLYPFNSIW-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