General Information of the Compound
| Compound ID |
CP0045910
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| Compound Name |
(S)-2-azido-N-((S)-1-((S)-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C36H42N6O5
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| Molecular Weight |
638.769
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C36H42N6O5/c1-24(2)19-28(32(43)36(3)23-47-36)38-33(44)29(20-25-13-7-4-8-14-25)39-34(45)30(21-26-15-9-5-10-16-26)40-35(46)31(41-42-37)22-27-17-11-6-12-18-27/h4-18,24,28-31H,19-23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t28-,29-,30-,31-,36+/m0/s1
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| InChIKey |
XGLBOPYPKBXJKE-KGSCVCOFSA-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