General Information of the Compound
| Compound ID |
CP0400681
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| Compound Name |
methyl (2S)-2-[[4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-5-(diaminomethylideneamino)pentanoate
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| Structure |
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| Formula |
C20H33N7O4
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| Molecular Weight |
435.529
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)OC
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| InChI |
InChI=1S/C20H33N7O4/c1-3-4-6-14(22)18(29)27-16-11-12(8-9-13(16)21)17(28)26-15(19(30)31-2)7-5-10-25-20(23)24/h8-9,11,14-15H,3-7,10,21-22H2,1-2H3,(H,26,28)(H,27,29)(H4,23,24,25)/t14-,15-/m0/s1
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| InChIKey |
OCOUSVQGBSKEJG-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