General Information of the Compound
| Compound ID |
CP0455536
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| Compound Name |
(2S)-N-[(2S)-1-[[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]amino]-4,4,4-trifluoro-1-oxobutan-2-yl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C31H40F3N7O5S
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| Molecular Weight |
679.766
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](CC(F)(F)F)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C31H40F3N7O5S/c1-20(2)15-25(38-29(43)26(40-41-36)17-21-7-5-4-6-8-21)28(42)39-27(18-31(32,33)34)30(44)37-24(13-14-47(3,45)46)16-22-9-11-23(19-35)12-10-22/h4-14,20,24-27H,15-19,35H2,1-3H3,(H,37,44)(H,38,43)(H,39,42)/b14-13+/t24-,25+,26+,27+/m1/s1
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| InChIKey |
NRDOGWWXGKDBMS-DNJSMDQWSA-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: PT03496, Proteasome subunit beta type-10
Protein ID: PT02579, Proteasome subunit beta type-2