General Information of the Compound
| Compound ID |
CP0460386
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| Compound Name |
4-amino-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
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| Structure |
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| Formula |
C16H17N3O4
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| Molecular Weight |
315.329
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cc(ccc1N)C(O)=O
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| InChI |
InChI=1S/C16H17N3O4/c17-12-6-3-10(16(22)23)8-14(12)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,17-18H2,(H,19,21)(H,22,23)/t13-/m0/s1
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| InChIKey |
KNGJUWNLZZBXNG-ZDUSSCGKSA-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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase