General Information of the Compound
| Compound ID |
CP0418659
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| Compound Name |
methyl 4-amino-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
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| Structure |
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| Formula |
C17H19N3O4
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| Molecular Weight |
329.356
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| Canonical SMILES |
COC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1
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| InChI |
InChI=1S/C17H19N3O4/c1-24-17(23)11-4-7-13(18)15(9-11)20-16(22)14(19)8-10-2-5-12(21)6-3-10/h2-7,9,14,21H,8,18-19H2,1H3,(H,20,22)/t14-/m0/s1
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| InChIKey |
FYXDSEPUYWENOR-AWEZNQCLSA-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: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase