General Information of the Compound
| Compound ID |
CP0062987
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| Compound Name |
(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
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| Synonyms |
Immunoproteasome inhibitors (hematological cancer/autoimmune disease), Proteolix Inc/ Onyx Pharmaceuticals Inc
ONX-0914
PR-957
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| Structure |
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| Formula |
C31H40N4O7
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| Molecular Weight |
580.682
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1
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| InChIKey |
WQAVPPWWLLVGFK-VTNASVEKSA-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: PT02583, Proteasome subunit beta type-1
Protein ID: PT06625, Proteasome subunit beta type-1
Protein ID: PT03496, Proteasome subunit beta type-10
Protein ID: PT07183, Proteasome subunit beta type-10
Protein ID: PT06951, Proteasome subunit beta type-2
Protein ID: PT02579, Proteasome subunit beta type-2
Protein ID: PT03791, Proteasome subunit beta type-5
Protein ID: PT02585, Proteasome subunit beta type-5
Protein ID: PT03168, Proteasome subunit beta type-8
Protein ID: PT04765, Proteasome subunit beta type-8
Protein ID: PT03838, Proteasome subunit beta type-9
Protein ID: PT06624, Proteasome subunit beta type-9
Clinical Information about the Compound