General Information of the Compound
| Compound ID |
CP0569774
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| Compound Name |
methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C25H37N5O7
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| Molecular Weight |
519.599
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| Canonical SMILES |
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC(=O)NCCO
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| InChI |
InChI=1S/C25H37N5O7/c1-14(2)10-19(29-24(35)22(33)17(26)12-21(32)27-8-9-31)23(34)30-20(25(36)37-3)11-15-13-28-18-7-5-4-6-16(15)18/h4-7,13-14,17,19-20,22,28,31,33H,8-12,26H2,1-3H3,(H,27,32)(H,29,35)(H,30,34)/t17-,19+,20+,22+/m1/s1
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| InChIKey |
AZUHLLUJTZMKMH-XBZUYWNMSA-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