General Information of the Compound
| Compound ID |
CP0573644
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| Compound Name |
benzyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C35H42N4O5
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| Molecular Weight |
598.744
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C35H42N4O5/c1-23(2)19-30(38-34(42)32(40)28(36)18-17-24-11-5-3-6-12-24)33(41)39-31(35(43)44-22-25-13-7-4-8-14-25)20-26-21-37-29-16-10-9-15-27(26)29/h3-16,21,23,28,30-32,37,40H,17-20,22,36H2,1-2H3,(H,38,42)(H,39,41)/t28-,30+,31+,32+/m1/s1
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| InChIKey |
LVSXCZWZQIYCSO-DNUNIWOASA-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