General Information of the Compound
| Compound ID |
CP0579203
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| Compound Name |
benzyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2,4-dihydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C28H36N4O6
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| Molecular Weight |
524.618
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C28H36N4O6/c1-17(2)12-23(31-27(36)25(34)21(29)15-33)26(35)32-24(28(37)38-16-18-8-4-3-5-9-18)13-19-14-30-22-11-7-6-10-20(19)22/h3-11,14,17,21,23-25,30,33-34H,12-13,15-16,29H2,1-2H3,(H,31,36)(H,32,35)/t21-,23+,24+,25+/m1/s1
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| InChIKey |
DYGKQTMULZFMLM-VZVHPENPSA-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