General Information of the Compound
| Compound ID |
CP0460385
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| Compound Name |
methyl (2S)-6-amino-2-[[3-amino-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]benzoyl]amino]hexanoate
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| Structure |
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| Formula |
C20H34N8O4
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| Molecular Weight |
450.544
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(NC(=O)[C@@H](N)CCCNC(N)=N)c(N)c1
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| InChI |
InChI=1S/C20H34N8O4/c1-32-19(31)16(6-2-3-9-21)28-17(29)12-7-8-15(14(23)11-12)27-18(30)13(22)5-4-10-26-20(24)25/h7-8,11,13,16H,2-6,9-10,21-23H2,1H3,(H,27,30)(H,28,29)(H4,24,25,26)/t13-,16-/m0/s1
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| InChIKey |
MZDQTENBSHOAEA-BBRMVZONSA-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: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase