General Information of the Compound
| Compound ID |
CP0480663
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| Compound Name |
methyl (2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-(4-phenylmethoxyphenyl)butanoyl]amino]benzoyl]amino]hexanoate
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| Structure |
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| Formula |
C31H39N5O5
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| Molecular Weight |
561.683
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C31H39N5O5/c1-40-31(39)27(9-5-6-18-32)35-29(37)23-13-17-25(33)28(19-23)36-30(38)26(34)16-12-21-10-14-24(15-11-21)41-20-22-7-3-2-4-8-22/h2-4,7-8,10-11,13-15,17,19,26-27H,5-6,9,12,16,18,20,32-34H2,1H3,(H,35,37)(H,36,38)/t26-,27-/m0/s1
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| InChIKey |
OOGZWXQNBBIFCX-SVBPBHIXSA-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