General Information of the Compound
| Compound ID |
CP0395516
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| Compound Name |
methyl 4-amino-3-[[(2S)-2-amino-4-(4-hydroxyphenyl)butanoyl]amino]benzoate
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| Structure |
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| Formula |
C18H21N3O4
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| Molecular Weight |
343.383
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| Canonical SMILES |
COC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccc(O)cc2)c1
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| InChI |
InChI=1S/C18H21N3O4/c1-25-18(24)12-5-9-14(19)16(10-12)21-17(23)15(20)8-4-11-2-6-13(22)7-3-11/h2-3,5-7,9-10,15,22H,4,8,19-20H2,1H3,(H,21,23)/t15-/m0/s1
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| InChIKey |
OZDOWCRRNFUMFA-HNNXBMFYSA-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: PT05116, Leucyl-cystinyl aminopeptidase