General Information of the Compound
| Compound ID |
CP0543750
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| Compound Name |
methyl (2S)-2-[[(3R,4S)-3-amino-4-hydroxy-5-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C33H45N5O8
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| Molecular Weight |
639.75
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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)CCN[C@@H](Cc1ccc(O)cc1)C(=O)OC
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| InChI |
InChI=1S/C33H45N5O8/c1-19(2)15-26(30(41)38-28(33(44)46-4)17-21-18-36-25-8-6-5-7-23(21)25)37-31(42)29(40)24(34)13-14-35-27(32(43)45-3)16-20-9-11-22(39)12-10-20/h5-12,18-19,24,26-29,35-36,39-40H,13-17,34H2,1-4H3,(H,37,42)(H,38,41)/t24-,26+,27+,28+,29+/m1/s1
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| InChIKey |
COMBCDCRFAXRAT-QDXQZTBOSA-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