General Information of the Compound
| Compound ID |
CP0445640
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| Compound Name |
(2S)-2-amino-4-(4-naphthalen-2-ylanilino)-4-oxobutanoic acid
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| Structure |
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| Formula |
C20H18N2O3
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| Molecular Weight |
334.375
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| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc(cc1)-c1ccc2ccccc2c1)C(O)=O
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| InChI |
InChI=1S/C20H18N2O3/c21-18(20(24)25)12-19(23)22-17-9-7-14(8-10-17)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,18H,12,21H2,(H,22,23)(H,24,25)/t18-/m0/s1
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| InChIKey |
RRVNMFFPCRSEBP-SFHVURJKSA-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