General Information of the Compound
| Compound ID |
CP0561265
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| Compound Name |
(2S)-2-amino-4-[hydroxy-[(naphthalen-1-ylmethylamino)-(3-nitrophenyl)methyl]phosphoryl]butanoic acid
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| Structure |
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| Formula |
C22H24N3O6P
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| Molecular Weight |
457.423
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(NCc1cccc2ccccc12)c1cccc(c1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C22H24N3O6P/c23-20(22(26)27)11-12-32(30,31)21(16-7-4-9-18(13-16)25(28)29)24-14-17-8-3-6-15-5-1-2-10-19(15)17/h1-10,13,20-21,24H,11-12,14,23H2,(H,26,27)(H,30,31)/t20-,21?/m0/s1
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| InChIKey |
RQIGKOYANZNNEG-BGERDNNASA-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: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT02739, Metabotropic glutamate receptor 8