General Information of the Compound
| Compound ID |
CP0418221
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| Compound Name |
(2S)-2-amino-3-[4-[(2-aminoacetyl)amino]-2-(2-carboxyethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C14H19N3O5
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| Molecular Weight |
309.322
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| Canonical SMILES |
NCC(=O)Nc1ccc(C[C@H](N)C(O)=O)c(CCC(O)=O)c1
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| InChI |
InChI=1S/C14H19N3O5/c15-7-12(18)17-10-3-1-9(6-11(16)14(21)22)8(5-10)2-4-13(19)20/h1,3,5,11H,2,4,6-7,15-16H2,(H,17,18)(H,19,20)(H,21,22)/t11-/m0/s1
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| InChIKey |
XWFCPWZLSHMCNZ-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: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3