General Information of the Compound
| Compound ID |
CP0569773
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| Compound Name |
(2S)-2-[[(3R,4S)-3-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-5-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Structure |
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| Formula |
C31H41N5O8
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| Molecular Weight |
611.696
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CCN[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C31H41N5O8/c1-17(2)13-24(28(39)36-26(31(43)44)15-19-16-34-23-6-4-3-5-21(19)23)35-29(40)27(38)22(32)11-12-33-25(30(41)42)14-18-7-9-20(37)10-8-18/h3-10,16-17,22,24-27,33-34,37-38H,11-15,32H2,1-2H3,(H,35,40)(H,36,39)(H,41,42)(H,43,44)/t22-,24+,25+,26+,27+/m1/s1
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| InChIKey |
ZILOINZZGFDOLE-AMNZSHNSSA-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