General Information of the Compound
| Compound ID |
CP0460387
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| Compound Name |
(2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-methylpentanoyl]amino]benzoyl]amino]hexanoic acid
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| Structure |
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| Formula |
C19H31N5O4
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| Molecular Weight |
393.488
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| Canonical SMILES |
CC(C)C[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](CCCCN)C(O)=O
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| InChI |
InChI=1S/C19H31N5O4/c1-11(2)9-14(22)18(26)24-16-10-12(6-7-13(16)21)17(25)23-15(19(27)28)5-3-4-8-20/h6-7,10-11,14-15H,3-5,8-9,20-22H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/t14-,15-/m0/s1
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| InChIKey |
QLZROVORQJBNKS-GJZGRUSLSA-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