General Information of the Compound
| Compound ID |
CP0568255
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| Compound Name |
methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-(4-phenylmethoxyphenoxy)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C34H43N3O8
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| Molecular Weight |
621.731
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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)CCOc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C34H43N3O8/c1-22(2)19-29(32(40)37-30(34(42)43-3)20-23-9-11-25(38)12-10-23)36-33(41)31(39)28(35)17-18-44-26-13-15-27(16-14-26)45-21-24-7-5-4-6-8-24/h4-16,22,28-31,38-39H,17-21,35H2,1-3H3,(H,36,41)(H,37,40)/t28-,29+,30+,31+/m1/s1
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| InChIKey |
VXWHBSKDVGKARU-BHSUFKTOSA-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