General Information of the Compound
| Compound ID |
CP0395513
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| Compound Name |
methyl 3-amino-4-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoate
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)[C@@H](N)CCc2ccccc2)c(N)c1
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| InChI |
InChI=1S/C18H21N3O3/c1-24-18(23)13-8-10-16(15(20)11-13)21-17(22)14(19)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,14H,7,9,19-20H2,1H3,(H,21,22)/t14-/m0/s1
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| InChIKey |
OTQCWZVXWLSOOK-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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase