General Information of the Compound
| Compound ID |
CP0447357
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| Compound Name |
[(2S)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxopropyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C32H37N4O6P
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| Molecular Weight |
604.644
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(C[C@H](CP(O)(=O)[C@@H](N)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1
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| InChI |
InChI=1S/C32H37N4O6P/c1-41-26-15-13-24(14-16-26)28-20-27(42-36-28)19-25(21-43(39,40)30(33)17-12-22-8-4-2-5-9-22)32(38)35-29(31(34)37)18-23-10-6-3-7-11-23/h2-11,13-16,20,25,29-30H,12,17-19,21,33H2,1H3,(H2,34,37)(H,35,38)(H,39,40)/t25-,29+,30-/m1/s1
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| InChIKey |
QJVIFKMCLOJOGV-TZFWCWEWSA-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: PT05116, Leucyl-cystinyl aminopeptidase