General Information of the Compound
| Compound ID |
CP0414326
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| Compound Name |
methyl (2S)-6-amino-2-[[3-amino-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]benzoyl]amino]hexanoate
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| Structure |
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| Formula |
C23H31N5O5
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| Molecular Weight |
457.531
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c(N)c1
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| InChI |
InChI=1S/C23H31N5O5/c1-33-23(32)20(4-2-3-11-24)28-21(30)15-7-10-19(17(25)13-15)27-22(31)18(26)12-14-5-8-16(29)9-6-14/h5-10,13,18,20,29H,2-4,11-12,24-26H2,1H3,(H,27,31)(H,28,30)/t18-,20-/m0/s1
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| InChIKey |
CDXWFSXTZJQYJL-ICSRJNTNSA-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