General Information of the Compound
| Compound ID |
CP0534919
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| Compound Name |
(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-(4-methylcyclohexyl)-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]propanamide
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| Structure |
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| Formula |
C37H50N6O5
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| Molecular Weight |
658.844
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(C)CC1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C37H50N6O5/c1-24(2)19-29(33(44)37(4)23-48-37)39-34(45)30(20-26-11-7-5-8-12-26)40-35(46)31(21-28-17-15-25(3)16-18-28)41-36(47)32(42-43-38)22-27-13-9-6-10-14-27/h5-14,24-25,28-32H,15-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t25?,28?,29-,30-,31-,32-,37+/m0/s1
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| InChIKey |
OXQWVPLCDFYYSY-HQWAEFACSA-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: PT02579, Proteasome subunit beta type-2
Protein ID: PT02585, Proteasome subunit beta type-5