General Information of the Compound
| Compound ID |
CP0446489
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C37H44N6O6
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| Molecular Weight |
668.795
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-])C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C37H44N6O6/c1-24(2)19-29(33(44)37(3)23-49-37)39-34(45)30(20-25-11-7-5-8-12-25)40-35(46)31(21-27-15-17-28(48-4)18-16-27)41-36(47)32(42-43-38)22-26-13-9-6-10-14-26/h5-18,24,29-32H,19-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,37+/m0/s1
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| InChIKey |
FNYVHRVKMVFVPO-ICQXYBJGSA-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