General Information of the Compound
| Compound ID |
CP0431591
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| Compound Name |
(2S)-2-amino-4-[(7,8-difluorodibenzofuran-2-yl)amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C16H12F2N2O4
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| Molecular Weight |
334.278
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc2oc3cc(F)c(F)cc3c2c1)C(O)=O
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| InChI |
InChI=1S/C16H12F2N2O4/c17-10-4-9-8-3-7(20-15(21)6-12(19)16(22)23)1-2-13(8)24-14(9)5-11(10)18/h1-5,12H,6,19H2,(H,20,21)(H,22,23)/t12-/m0/s1
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| InChIKey |
ZWSCZNCTZIFFBX-LBPRGKRZSA-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