General Information of the Compound
| Compound ID |
CP0408318
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| Compound Name |
(2S)-2-amino-3-[4-chloro-3-(2,5-dihydroxyphenyl)-5-nitrophenyl]propanoic acid
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| Structure |
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| Formula |
C15H13ClN2O6
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| Molecular Weight |
352.73
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| Canonical SMILES |
N[C@@H](Cc1cc(c(Cl)c(c1)[N+]([O-])=O)-c1cc(O)ccc1O)C(O)=O
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| InChI |
InChI=1S/C15H13ClN2O6/c16-14-10(9-6-8(19)1-2-13(9)20)3-7(4-11(17)15(21)22)5-12(14)18(23)24/h1-3,5-6,11,19-20H,4,17H2,(H,21,22)/t11-/m0/s1
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| InChIKey |
XSAWTCPSWFHFII-NSHDSACASA-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: PT01414, Glutamate receptor 2
Protein ID: PT03116, Glutamate receptor 3