General Information of the Compound
| Compound ID |
CP0578887
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| Compound Name |
methyl (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C32H43N5O8
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| Molecular Weight |
625.723
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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)CN[C@@H](Cc1ccc(O)cc1)C(=O)OC
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| InChI |
InChI=1S/C32H43N5O8/c1-18(2)13-25(29(40)37-27(32(43)45-4)15-20-16-34-24-8-6-5-7-22(20)24)36-30(41)28(39)23(33)17-35-26(31(42)44-3)14-19-9-11-21(38)12-10-19/h5-12,16,18,23,25-28,34-35,38-39H,13-15,17,33H2,1-4H3,(H,36,41)(H,37,40)/t23-,25+,26+,27+,28+/m1/s1
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| InChIKey |
ZUBRZDDOAVYLJY-OFGRGEMESA-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