General Information of the Compound
| Compound ID |
CP0552108
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| Compound Name |
(5R,6S)-5-amino-6-hydroxy-7-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-7-oxoheptanoic acid
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| Structure |
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| Formula |
C23H35N3O8
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| Molecular Weight |
481.546
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCCC(O)=O
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| InChI |
InChI=1S/C23H35N3O8/c1-13(2)11-17(25-22(32)20(30)16(24)5-4-6-19(28)29)21(31)26-18(23(33)34-3)12-14-7-9-15(27)10-8-14/h7-10,13,16-18,20,27,30H,4-6,11-12,24H2,1-3H3,(H,25,32)(H,26,31)(H,28,29)/t16-,17+,18+,20+/m1/s1
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| InChIKey |
ZBXSBMCHIRXXKX-LXZJYRNTSA-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: PT05005, Interleukin-1 receptor antagonist protein