General Information of the Compound
| Compound ID |
CP0414329
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| Compound Name |
methyl (2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-(4-hydroxyphenyl)butanoyl]amino]benzoyl]amino]hexanoate
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| Structure |
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| Formula |
C24H33N5O5
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| Molecular Weight |
471.558
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccc(O)cc2)c1
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| InChI |
InChI=1S/C24H33N5O5/c1-34-24(33)20(4-2-3-13-25)28-22(31)16-8-12-18(26)21(14-16)29-23(32)19(27)11-7-15-5-9-17(30)10-6-15/h5-6,8-10,12,14,19-20,30H,2-4,7,11,13,25-27H2,1H3,(H,28,31)(H,29,32)/t19-,20-/m0/s1
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| InChIKey |
MRRGURMAMRJVTJ-PMACEKPBSA-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