General Information of the Compound
| Compound ID |
CP0508331
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| Compound Name |
(2S)-N-[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-fluoro-4-methylpentanamide
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| Structure |
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| Formula |
C33H46FN7O5S
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| Molecular Weight |
671.84
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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(C)(C)F)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O
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| InChI |
InChI=1S/C33H46FN7O5S/c1-22(2)17-27(38-31(43)28(40-41-36)19-23-9-7-6-8-10-23)30(42)39-29(20-33(3,4)34)32(44)37-26(15-16-47(5,45)46)18-24-11-13-25(21-35)14-12-24/h6-16,22,26-29H,17-21,35H2,1-5H3,(H,37,44)(H,38,43)(H,39,42)/b16-15+/t26-,27+,28+,29+/m1/s1
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| InChIKey |
CJDROFUEENPIAE-QXYKVNGXSA-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